Glycoside
GD023874
Name:
NoneFormula:
C33H45O6N3SSmiles:
CS[C@@H]1O[C@H](c2ccc(C)c(Cc3ccc(CCCC(=O)NC4(C(=O)N5CCN(C)CC5)CC4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1Cc1ccc(CCCC(=O)NC2(C(=O)N3CCN(C)CC3)CC2)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 611.81 | Num_heavy_atoms: | 43 |
| TPSA: | 122.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD16010
Formula: C27H35O2N3
Smiles:
Cc1ccccc1Cc1ccc(CCCC(=O)NC2(C(=O)N3CCN(C)CC3)CC2)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 433.6 | Num_heavy_atoms: | 32 |
| TPSA: | 52.65 | NumAromaticRings: | 2 |
