Glycoside
GD015063
Name:
NoneFormula:
C35H55O9NSmiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@H](C)CO6)[C@H](C)[C@H]5[C@]4(C)C(=O)C[C@H]32)C1Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 633.82 | Num_heavy_atoms: | 45 |
| TPSA: | 143.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD01186
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
