Glycoside
...
GD142672

Name:
6-{[4-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methylphenyl]methyl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl benzoate

Formula:
C28H28O10

Smiles:
Cc1cc(CC2OC(CO)C(OC(=O)c3ccccc3)C(O)C2O)cc(O)c1C(=O)c1cc(O)cc(O)c1

Aglycone:
Cc1cc(C)c(C(=O)c2cc(O)cc(O)c2)c(O)c1.O=C(O)c1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.29
AlogP: 1.59 Num_rotatable_bonds: 7
MolWt: 524.52 Num_heavy_atoms: 38
TPSA: 173.98 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD57413
Formula: C15H14O4

Smiles:
Cc1cc(C)c(C(=O)c2cc(O)cc(O)c2)c(O)c1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.13
AlogP: 2.65 Num_rotatable_bonds: 2
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 77.76 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O