Glycoside
...
GD141609

Name:
4-(3-{[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]carbonyl}-1-(3,4-dihydroxyphenyl)-6-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2-dihydronaphthalene-2-carbonyloxy)-2-(1,2-dihydroxyethyl)-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydro-2H-pyran-6-carboxylic acid

Formula:
C48H48O26

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC(=O)C2C(C(=O)OC3CC(C(=O)O)=CC(O)C3O)=Cc3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3C2c2ccc(O)c(O)c2)C=C(C(=O)O)OC1C(O)CO

Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC(=O)C2C(C(=O)OC3CC(C(=O)O)=CC(O)C3O)=Cc3cc(O)c(O)cc3C2c2ccc(O)c(O)c2)C=C(C(=O)O)OC1C(O)CO

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

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 15 FractionCSP3: 0.35
AlogP: -2.16 Num_rotatable_bonds: 15
MolWt: 1040.89 Num_heavy_atoms: 74
TPSA: 444.18 NumAromaticRings: 3

Unique Aglycone
AD57037
Formula: C42H38O21

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC(=O)C2C(C(=O)OC3CC(C(=O)O)=CC(O)C3O)=Cc3cc(O)c(O)cc3C2c2ccc(O)c(O)c2)C=C(C(=O)O)OC1C(O)CO
HBA: 21 RingCount: 6
HBD: 12 FractionCSP3: 0.26
AlogP: 0.37 Num_rotatable_bonds: 12
MolWt: 878.75 Num_heavy_atoms: 63
TPSA: 365.03 NumAromaticRings: 3

Sugarmoiety
SD00003

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