Glycoside
GD006198
Name:
NoneFormula:
C17H27O8N3SSmiles:
CC(C)[C@H](SC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)OAglycone:
CSC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)CSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 433.48 | Num_heavy_atoms: | 29 |
| TPSA: | 185.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD05148
Formula: C12H19O3N3S
Smiles:
CSC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 285.37 | Num_heavy_atoms: | 19 |
| TPSA: | 95.08 | NumAromaticRings: | 1 |
