Glycoside
GD125943
Name:
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-octahydroazulene-2,6-dioneFormula:
C21H32O8Smiles:
CC1=C2CC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)C(=O)CC(C)C2CC1=OAglycone:
CC1=C2CC(C(C)(C)O)C(=O)CC(C)C2CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD50940
Formula: C15H22O3
Smiles:
CC1=C2CC(C(C)(C)O)C(=O)CC(C)C2CC1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
