Glycoside
GD006343
Name:
NoneFormula:
C34H49O6N3SSmiles:
CS[C@@H]1O[C@H](c2ccc(C)c(Cc3ccc(CCCC(=O)NC(C)(C)C(=O)NC4CCN(C)CC4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NC2CCN(C)CC2)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 627.85 | Num_heavy_atoms: | 44 |
| TPSA: | 131.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD05265
Formula: C28H39O2N3
Smiles:
Cc1ccccc1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NC2CCN(C)CC2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.64 | Num_heavy_atoms: | 33 |
| TPSA: | 61.44 | NumAromaticRings: | 2 |
