Glycoside
GD022609
Name:
Hormonemate FFormula:
C29H52O13Smiles:
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 608.72 | Num_heavy_atoms: | 42 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD15311
Formula: C24H42O8
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 458.59 | Num_heavy_atoms: | 32 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
