Glycoside

GD131840
Name:
5,12-dihydroxy-11-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,13-dioxatetracyclo[10.3.1.0¹,â¹.0³,â¸]hexadeca-3,5,7,9-tetraene-14-carboxylic acidFormula:
C21H22O12Smiles:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)c(C2OC(CO)C(O)C(O)C2O)c1O3Aglycone:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)cc1O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.52 |
AlogP: | -2.04 | Num_rotatable_bonds: | 3 |
MolWt: | 466.4 | Num_heavy_atoms: | 33 |
TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD53396
Formula: C15H12O7
Smiles:
O=C(O)C1CC23CC(O)(O1)C(=O)C=C2c1ccc(O)cc1O3HBA: | 7 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.33 |
AlogP: | 0.44 | Num_rotatable_bonds: | 1 |
MolWt: | 304.25 | Num_heavy_atoms: | 22 |
TPSA: | 113.29 | NumAromaticRings: | 1 |