Glycoside
GD031021
Name:
NoneFormula:
C41H68O14Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](OC[C@@]3(C)[C@H](O)CC[C@@]4(C)[C@@H]5CC[C@@H]6[C@@H]7C[C@@](C)(O)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]43)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD10015
Formula: C29H48O5
Smiles:
CC1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
