Glycoside
...
GD017903

Name:
None

Formula:
C34H41O14NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)CC2

Aglycone:
COC(C)=O.COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NO)CC2

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 1 FractionCSP3: 0.5
AlogP: 3.05 Num_rotatable_bonds: 12
MolWt: 719.76 Num_heavy_atoms: 50
TPSA: 180.45 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
AD04268
Formula: C20H23O5NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NO)CC2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 3.43 Num_rotatable_bonds: 5
MolWt: 389.47 Num_heavy_atoms: 27
TPSA: 77.02 NumAromaticRings: 2

Sugarmoiety
SD00012

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