Glycoside
GD020262
Name:
NoneFormula:
C25H40O9Smiles:
C[C@@]12CCC[C@@](C)(C(=O)O)C1CC[C@@]13C[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@](O)(CCC12)C3Aglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD14022
Formula: C19H30O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC4O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.45 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
