Glycoside
GD027337
Name:
NoneFormula:
C47H66O15NClSmiles:
C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](COC(=O)Nc7ccc(Cl)cc7)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)C4C(=O)C[C@@]3(C)C1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)Nc1ccc(Cl)cc1Sugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 908.48 | Num_heavy_atoms: | 63 |
| TPSA: | 232.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD00905
Formula: C9H8O2NCl
Smiles:
COC(=O)Nc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.61 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD01997
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(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 |
