Glycoside
GD035026
Name:
NoneFormula:
C33H47O7N3SSmiles:
CS[C@@H]1O[C@H](c2ccc(C)c(Cc3ccc(OCCCC(=O)NC(C)(C)C(=O)N4CCN(C)CC4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1Cc1ccc(OCCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 629.82 | Num_heavy_atoms: | 44 |
| TPSA: | 131.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD22194
Formula: C27H37O3N3
Smiles:
Cc1ccccc1Cc1ccc(OCCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.61 | Num_heavy_atoms: | 33 |
| TPSA: | 61.88 | NumAromaticRings: | 2 |
