Glycoside
GD114657
Name:
2-[(7-cyclopentanecarbonyl-6-cyclopentyl-8-hydroxy-3-methoxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)C3CCCC3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)C3CCCC3)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.59 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD45194
Formula: C22H26O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)C3CCCC3)c(C3CCCC3)cc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.45 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
