Glycoside
...
GD136332

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

Formula:
C31H32O17

Smiles:
O=C(O)C1=CC(O)C(O)C(OC(=O)C2C(C(=O)O)=Cc3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3C2c2ccc(O)c(O)c2)C1

Aglycone:
O=C(O)C1=CC(O)C(O)C(OC(=O)C2C(C(=O)O)=Cc3cc(O)c(O)cc3C2c2ccc(O)c(O)c2)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 11 FractionCSP3: 0.39
AlogP: -1.74 Num_rotatable_bonds: 8
MolWt: 676.58 Num_heavy_atoms: 48
TPSA: 301.43 NumAromaticRings: 2

Unique Aglycone
AD55104
Formula: C25H22O12

Smiles:
O=C(O)C1=CC(O)C(O)C(OC(=O)C2C(C(=O)O)=Cc3cc(O)c(O)cc3C2c2ccc(O)c(O)c2)C1
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.24
AlogP: 0.79 Num_rotatable_bonds: 5
MolWt: 514.44 Num_heavy_atoms: 37
TPSA: 222.28 NumAromaticRings: 2

Sugarmoiety
SD00003

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