Glycoside
GD002831
Name:
NoneFormula:
C55H88O16N2Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 1033.31 | Num_heavy_atoms: | 73 |
| TPSA: | 274.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD02654
Formula: C44H70O7N2
Smiles:
COC(=O)C1(C)CCC2(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 7.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 739.05 | Num_heavy_atoms: | 53 |
| TPSA: | 136.4 | NumAromaticRings: | 0 |
