Glycoside
GD011379
Name:
6-{[5-(3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C28H46O8Smiles:
C=C[C@](C)(CCC1=C(C)[C@H](OO)C[C@@H]2C(C)(C)CCC[C@]12C)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1OAglycone:
C=CC(C)(O)CCC1=C(C)C(OO)CC2C(C)(C)CCCC12CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.67 | Num_heavy_atoms: | 36 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD08705
Formula: C20H34O3
Smiles:
C=CC(C)(O)CCC1=C(C)C(OO)CC2C(C)(C)CCCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
