Glycoside
...
GD133871

Name:
{6-[(4,8-dihydroxy-5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,5-dihydroxy-4-methoxybenzoate

Formula:
C24H26O13

Smiles:
COc1c(O)cc(C(=O)OCC2OC(Oc3ccc(O)c4c3C(O)CCC4=O)C(O)C(O)C2O)cc1O

Aglycone:
COC(=O)c1cc(O)c(OC)c(O)c1.O=C1CCC(O)c2c(O)ccc(O)c21

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.42
AlogP: -0.13 Num_rotatable_bonds: 6
MolWt: 522.46 Num_heavy_atoms: 37
TPSA: 212.67 NumAromaticRings: 2

Unique Aglycone
AD01787
Formula: C10H10O4

Smiles:
O=C1CCC(O)c2c(O)ccc(O)c21
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.3
AlogP: 1.11 Num_rotatable_bonds: 0
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 77.76 NumAromaticRings: 1
AD45775
Formula: C9H10O5

Smiles:
COC(=O)c1cc(O)c(OC)c(O)c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 0.89 Num_rotatable_bonds: 2
MolWt: 198.17 Num_heavy_atoms: 14
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD00017

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