Glycoside
...
GD149217

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-hydroxybenzoyloxy)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:
C40H50O23

Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(C(=O)OCC4CCC5C(C(=O)O)=COC(OC6OC(CO)C(O)C(O)C6O)C45)c(O)c3)CCC12

Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(C(=O)OCC4CCC5C(C(=O)O)=COC(O)C45)c(O)c3)CCC12

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

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 11 FractionCSP3: 0.65
AlogP: -2.73 Num_rotatable_bonds: 14
MolWt: 898.82 Num_heavy_atoms: 63
TPSA: 364.65 NumAromaticRings: 1

Unique Aglycone
AD59674
Formula: C28H30O13

Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(C(=O)OCC4CCC5C(C(=O)O)=COC(O)C45)c(O)c3)CCC12
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.5
AlogP: 1.62 Num_rotatable_bonds: 8
MolWt: 574.54 Num_heavy_atoms: 41
TPSA: 206.35 NumAromaticRings: 1

Sugarmoiety
SD00019

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