Glycoside
GD015589
Name:
ANTIOGOSIDEFormula:
C29H44O10Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1(O)CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 552.66 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD11313
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
