Glycoside
...
GD001077

Name:
None

Formula:
C35H42O17N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(NC(=O)CCC(=O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(C)(C)O[C@H]34)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)OC2C(COC(=O)CCC(=O)Nc3ccc(S)nc3)OC(n3ccc(=O)[nH]c3=O)C2O1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 2 FractionCSP3: 0.57
AlogP: 0.49 Num_rotatable_bonds: 14
MolWt: 822.8 Num_heavy_atoms: 57
TPSA: 265.27 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01125
Formula: C21H24O8N4S

Smiles:
CC1(C)OC2C(COC(=O)CCC(=O)Nc3ccc(S)nc3)OC(n3ccc(=O)[nH]c3=O)C2O1
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.48
AlogP: 0.6 Num_rotatable_bonds: 7
MolWt: 492.51 Num_heavy_atoms: 34
TPSA: 150.84 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O