Glycoside
GD113612
Name:
NoneFormula:
C31H46O6Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=C4CC[C@]3(C)C2)CC[C@@H]5C2=CC(=O)OC2)O[C@@H](C)[C@@H]1OAglycone:
CC12CCC3C(=C1CCC2C1=CC(=O)OC1)CCC1(C)CC(O)CCC31CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.7 | Num_heavy_atoms: | 37 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD44822
Formula: C24H34O3
Smiles:
CC12CCC3C(=C1CCC2C1=CC(=O)OC1)CCC1(C)CC(O)CCC31C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.53 | Num_heavy_atoms: | 27 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
