Glycoside
...
GD140841

Name:
5-acetamido-3-[(5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-6-[(5-acetamido-4-hydroxy-6-{[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}-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxyoxane-2-carboxylic acid

Formula:
C79H129O22N3P2

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(C(=O)O)C(OC3OC(C)C(N=C(C)O)C(O)C3O)C(O)C2N=C(C)O)C(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

Sugarmoiety:
CC(O)=NC1C(C)OC(OC2C(C(=O)O)OC(OC3C(CO)OC(O)C(N=C(C)O)C3O)C(N=C(C)O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 11 FractionCSP3: 0.67
AlogP: 15.99 Num_rotatable_bonds: 46
MolWt: 1534.85 Num_heavy_atoms: 106
TPSA: 384.66 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

Sugarmoiety
SD08626

CC(O)=NC1C(C)OC(OC2C(C(=O)O)OC(OC3C(CO)OC(O)C(N=C(C)O)C3O)C(N=C(C)O)C2O)C(O)C1O