Glycoside
...
GD121677

Name:
Sinocrassoside D1

Formula:
C26H28O13

Smiles:
CCC(C)C(=O)OC1C(O)C(C)OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2O)C1O

Aglycone:
CCC(C)C(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.38
AlogP: 1.79 Num_rotatable_bonds: 6
MolWt: 548.5 Num_heavy_atoms: 39
TPSA: 216.58 NumAromaticRings: 3

Unique Aglycone
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
AD12075
Formula: C15H10O8

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12
HBA: 8 RingCount: 3
HBD: 6 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 1
MolWt: 318.24 Num_heavy_atoms: 23
TPSA: 151.59 NumAromaticRings: 3

Sugarmoiety
SD00076

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