Glycoside
...
GD119289

Name:
2-(2-{6-[2-(2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetamido)acetamido]-2-[4-carbamoyl-2-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[hydroxy({hydroxy[(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxy]phosphoryl}oxy)phosphoryl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanamido]hexanamido}propanamido)propanoic acid

Formula:
C104H172O30N14P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(CCCCN=C(O)CN=C(O)CN=C(O)CN=C(O)CN=C(O)CN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C1N=C(C)O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.CC(O)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(CCCCN=C(O)CN=C(O)CN=C(O)CN=C(O)CN=C(O)CN)C(O)=NC(C)C(O)=NC(C)C(=O)O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 44 RingCount: 2
HBD: 23 FractionCSP3: 0.65
AlogP: 18.47 Num_rotatable_bonds: 73
MolWt: 2160.54 Num_heavy_atoms: 150
TPSA: 718.61 NumAromaticRings: 0

Unique Aglycone
AD24454
Formula: C55H92O7P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 18.44 Num_rotatable_bonds: 35
MolWt: 927.28 Num_heavy_atoms: 64
TPSA: 113.29 NumAromaticRings: 0
AD47762
Formula: C33H56O14N12

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(CCCCN=C(O)CN=C(O)CN=C(O)CN=C(O)CN=C(O)CN)C(O)=NC(C)C(O)=NC(C)C(=O)O
HBA: 26 RingCount: 0
HBD: 16 FractionCSP3: 0.64
AlogP: 1.36 Num_rotatable_bonds: 28
MolWt: 844.88 Num_heavy_atoms: 59
TPSA: 453.53 NumAromaticRings: 0

Sugarmoiety
SD04412

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O