Glycoside
...
GD125452

Name:
3,4-dihydroxy-5-[(2-methylbutanoyl)oxy]-6-{[3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

Formula:
C26H26O14

Smiles:
CCC(C)C(=O)OC1C(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2O)OC(C(=O)O)C(O)C1O

Aglycone:
CCC(C)C(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.35
AlogP: 1.15 Num_rotatable_bonds: 7
MolWt: 562.48 Num_heavy_atoms: 40
TPSA: 233.65 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
AD03890
Formula: C15H10O7

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.99 Num_rotatable_bonds: 1
MolWt: 302.24 Num_heavy_atoms: 22
TPSA: 131.36 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O