Glycoside
GD138076
Name:
1-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C25H32O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2(O)CO)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD44988
Formula: C18H20O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
