Glycoside
...
GD005201

Name:
None

Formula:
C34H30O21

Smiles:
O=C(COCC(O)(COC(=O)c1cc(O)c(O)c(O)c1)[C@H](COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Aglycone:
CC(=O)c1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1

Sugarmoiety:
OOCC(OO)C(O)(COO)COO

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 13 FractionCSP3: 0.18
AlogP: 1.02 Num_rotatable_bonds: 14
MolWt: 774.59 Num_heavy_atoms: 55
TPSA: 368.19 NumAromaticRings: 4

Unique Aglycone
AD02035
Formula: C7H6O4

Smiles:
O=Cc1cc(O)c(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1
AD04444
Formula: C8H8O4

Smiles:
CC(=O)c1cc(O)c(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 1.01 Num_rotatable_bonds: 1
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00970

OOCC(OO)C(O)(COO)COO