Glycoside
GD000591
Name:
Hormonemate EFormula:
C35H62O15Smiles:
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](CO)[C@H](O)[C@H](O)CO)[C@H](C)CC)[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(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(CO)OOOther Identifiers
Properties
| HBA: | 15 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 24 |
| MolWt: | 722.87 | Num_heavy_atoms: | 50 |
| TPSA: | 232.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00641
Formula: C30H52O10
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC)C(C)CC| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 19 |
| MolWt: | 572.74 | Num_heavy_atoms: | 40 |
| TPSA: | 142.5 | NumAromaticRings: | 0 |
