Glycoside
...
GD114132

Name:
None

Formula:
C38H34O10N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.29
AlogP: 6.03 Num_rotatable_bonds: 9
MolWt: 710.76 Num_heavy_atoms: 51
TPSA: 160.22 NumAromaticRings: 4

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
AD08837
Formula: C24H16ON2S

Smiles:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12
HBA: 3 RingCount: 4
HBD: 1 FractionCSP3: 0.04
AlogP: 6.31 Num_rotatable_bonds: 3
MolWt: 380.47 Num_heavy_atoms: 28
TPSA: 56.65 NumAromaticRings: 4

Sugarmoiety
SD00012

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