Glycoside
GD098973
Name:
NoneFormula:
C21H38O8N3SSmiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CC([NH2+]CCO)CC1C(=O)N1CCSC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.62 | Num_heavy_atoms: | 33 |
| TPSA: | 145.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD42127
Formula: C15H28O4N3S
Smiles:
CC(C)(C)OC(=O)N1CC([NH2+]CCO)CC1C(=O)N1CCSC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.47 | Num_heavy_atoms: | 23 |
| TPSA: | 86.69 | NumAromaticRings: | 0 |
