Glycoside
...
GD152068

Name:
8-({3,4,5-trihydroxy-6-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxan-2-yl}oxy)-3,4-dihydro-2H-1-benzopyran-5-carboxylic acid

Formula:
C25H28O13

Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(C(=O)O)c4c3OCCC4)C(O)C(O)C2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C(O)c1ccc(O)c2c1CCCO2

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.44
AlogP: 0.48 Num_rotatable_bonds: 8
MolWt: 536.49 Num_heavy_atoms: 38
TPSA: 190.67 NumAromaticRings: 2

Unique Aglycone
AD00094
Formula: C10H12O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD57338
Formula: C10H10O4

Smiles:
O=C(O)c1ccc(O)c2c1CCCO2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.3
AlogP: 1.42 Num_rotatable_bonds: 1
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O