Glycoside
...
GD118509

Name:
6-(2-{[2-carboxy-6-(2-{[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-1,3-dihydroxypropyl)-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl)-2-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy}-6-({6-[(2-dodecanamido-3-hydroxyoctadec-4-en-1-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-5-hydroxy-2-(hydroxymethyl)oxan-4-yl)oxy]-5-acetamido-4-hydroxyoxane-2-carboxylic acid

Formula:
C84H144O42N4

Smiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CC(C)=O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC5(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O5)O4)O3)C2O)C(O)C1O)N=C(O)CCCCCCCCCCC

Aglycone:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(OC(CO)C(O)C3OC(O)(C(=O)O)CC(O)C3N=C(C)O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCC

Sugarmoiety:
CC(=O)CC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 46 RingCount: 6
HBD: 26 FractionCSP3: 0.88
AlogP: -2.41 Num_rotatable_bonds: 58
MolWt: 1882.06 Num_heavy_atoms: 130
TPSA: 754.46 NumAromaticRings: 0

Unique Aglycone
AD44973
Formula: C30H59O3N

Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCC
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.9
AlogP: 8.84 Num_rotatable_bonds: 26
MolWt: 481.81 Num_heavy_atoms: 34
TPSA: 73.05 NumAromaticRings: 0
AD45738
Formula: C33H53O25N3

Smiles:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(OC(CO)C(O)C3OC(O)(C(=O)O)CC(O)C3N=C(C)O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO
HBA: 28 RingCount: 3
HBD: 17 FractionCSP3: 0.82
AlogP: -7.0 Num_rotatable_bonds: 19
MolWt: 891.78 Num_heavy_atoms: 61
TPSA: 478.35 NumAromaticRings: 0

Sugarmoiety
SD04495

CC(=O)CC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1O