Glycoside
...
GD153697

Name:
Resinoside B

Formula:
C31H34O13

Smiles:
CC(C)(O)C1CC=C(C(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)CC1

Aglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.42
AlogP: 1.8 Num_rotatable_bonds: 7
MolWt: 614.6 Num_heavy_atoms: 44
TPSA: 216.58 NumAromaticRings: 3

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD04696
Formula: C11H18O3

Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.73
AlogP: 1.66 Num_rotatable_bonds: 2
MolWt: 198.26 Num_heavy_atoms: 14
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O