Glycoside
GD016015
Name:
4,5-dihydroxy-2-{[6-(6-hydroxy-6-methylhepta-2,4-dien-2-yl)-4,4a-dimethyl-decahydronaphthalen-1-yl]oxy}oxan-3-yl acetateFormula:
C27H44O7Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@H](C)[C@]3(C)C[C@H](C(C)=CC=CC(C)(C)O)CC[C@H]23)OC[C@H](O)[C@H]1OAglycone:
CC(=CC=CC(C)(C)O)C1CCC2C(O)CCC(C)C2(C)C1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD11577
Formula: C20H34O2
Smiles:
CC(=CC=CC(C)(C)O)C1CCC2C(O)CCC(C)C2(C)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
