Glycoside
...
GD120561

Name:
Sinocrassoside A2

Formula:
C26H28O11

Smiles:
CCC(C)C(=O)OC1C(O)C(C)OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)C1O

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

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.38
AlogP: 2.38 Num_rotatable_bonds: 6
MolWt: 516.5 Num_heavy_atoms: 37
TPSA: 176.12 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
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O