Glycoside
GD146537
Name:
5-hydroxy-3,8-dimethyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4,5,6,7,8,8a-octahydroazulen-2-oneFormula:
C21H34O8Smiles:
CC1=C2CC(O)(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CCC(C)C2CC1=OAglycone:
CC1=C2CC(O)(C(C)(C)O)CCC(C)C2CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58750
Formula: C15H24O3
Smiles:
CC1=C2CC(O)(C(C)(C)O)CCC(C)C2CC1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.35 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
