Glycoside
...
GD036513

Name:
None

Formula:
C28H30O12

Smiles:
CC(C)OC(=O)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OC(C)C

Aglycone:
O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1

Sugarmoiety:
CC(C)OC(=O)C(OO)C(OO)C(=O)OC(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 4 FractionCSP3: 0.29
AlogP: 2.96 Num_rotatable_bonds: 11
MolWt: 558.54 Num_heavy_atoms: 40
TPSA: 186.12 NumAromaticRings: 2

Unique Aglycone
AD03296
Formula: C9H8O3

Smiles:
O=CC=Cc1ccc(O)c(O)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD03276

CC(C)OC(=O)C(OO)C(OO)C(=O)OC(C)C