Glycoside
GD032955
Name:
NoneFormula:
C31H46O10Smiles:
CO[C@@H]1[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@@H]6CC[C@@]5(O[C@@H]5OC(=O)C[C@H]56)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H](O)[C@H]1OCAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C13CCC2C1CC(=O)OC1O3Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.7 | Num_heavy_atoms: | 41 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD21071
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C13CCC2C1CC(=O)OC1O3| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
