Glycoside
GD149663
Name:
2-{[4-(3,4-dihydroxybenzoyl)-6,7-dihydroxynaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H22O11Smiles:
O=C(c1ccc(O)c(O)c1)c1cc(OC2OC(CO)C(O)C(O)C2O)cc2cc(O)c(O)cc12Aglycone:
O=C(c1ccc(O)c(O)c1)c1cc(O)cc2cc(O)c(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 197.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD59829
Formula: C17H12O6
Smiles:
O=C(c1ccc(O)c(O)c1)c1cc(O)cc2cc(O)c(O)cc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 118.22 | NumAromaticRings: | 3 |
