Glycoside
GD130851
Name:
6-acetyl-4-{[5-(cyclopentylmethyl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methylnaphthalene-2-carboxylic acidFormula:
C26H32O10Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(OC3OC(CO)C(O)(CC4CCCC4)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O.CC1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 504.53 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD45063
Formula: C14H12O5
Smiles:
CC(=O)c1c(C)cc2cc(C(=O)O)cc(O)c2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
AD47221
Formula: C6H12
Smiles:
CC1CCCC1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
