Glycoside
...
GD110812

Name:
None

Formula:
C32H38O13

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2c3c(cc4c5c(c(=O)oc24)CCCC5)CCC(C)(C)O3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 0 FractionCSP3: 0.59
AlogP: 3.24 Num_rotatable_bonds: 7
MolWt: 630.64 Num_heavy_atoms: 45
TPSA: 163.1 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
AD42302
Formula: C18H20O4

Smiles:
CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4
HBA: 4 RingCount: 4
HBD: 1 FractionCSP3: 0.5
AlogP: 3.48 Num_rotatable_bonds: 0
MolWt: 300.35 Num_heavy_atoms: 22
TPSA: 59.67 NumAromaticRings: 2

Sugarmoiety
SD00012

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