Glycoside
...
GD019440

Name:
None

Formula:
C31H34O10N2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2cccc(NC(=S)Nc3ccccc3)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 3.59 Num_rotatable_bonds: 11
MolWt: 626.68 Num_heavy_atoms: 44
TPSA: 155.56 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
AD06773
Formula: C17H16ON2S

Smiles:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.06
AlogP: 4.1 Num_rotatable_bonds: 4
MolWt: 296.4 Num_heavy_atoms: 21
TPSA: 41.13 NumAromaticRings: 2

Sugarmoiety
SD00012

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