Glycoside
GD122652
Name:
3,5a,9-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-oneFormula:
C21H32O8Smiles:
CC1=C2C3OC(=O)C(C)C3CCC2(C)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2C3OC(=O)C(C)C3CCC2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49443
Formula: C15H22O3
Smiles:
CC1=C2C3OC(=O)C(C)C3CCC2(C)CCC1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
