Glycoside
...
GD136583

Name:
7-[(4-{[(4-carboxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methoxy]carbonyl}-2,5-dihydroxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C40H50O24

Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3cc(O)c(C(=O)OCC4CCC5C(C(=O)O)=COC(OC6OC(CO)C(O)C(O)C6O)C45)cc3O)CCC12

Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3cc(O)c(C(=O)OCC4CCC5C(C(=O)O)=COC(O)C45)cc3O)CCC12

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

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 12 FractionCSP3: 0.65
AlogP: -3.02 Num_rotatable_bonds: 14
MolWt: 914.82 Num_heavy_atoms: 64
TPSA: 384.88 NumAromaticRings: 1

Unique Aglycone
AD55215
Formula: C28H30O14

Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3cc(O)c(C(=O)OCC4CCC5C(C(=O)O)=COC(O)C45)cc3O)CCC12
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.5
AlogP: 1.33 Num_rotatable_bonds: 8
MolWt: 590.53 Num_heavy_atoms: 42
TPSA: 226.58 NumAromaticRings: 1

Sugarmoiety
SD00019

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