Glycoside
GD138520
Name:
3,4,5-trihydroxy-6-(naphthalene-1-carbonyloxy)oxane-2-carboxylic acidFormula:
C17H16O8Smiles:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1cccc2ccccc12Aglycone:
O=C(O)c1cccc2ccccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD01330
Formula: C11H8O2
Smiles:
O=C(O)c1cccc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.18 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 2 |
