Glycoside
GD095054
Name:
NoneFormula:
C21H25O8N3SSmiles:
COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC3)c1Aglycone:
COc1cccc(NC(=O)c2nc3c(s2)CCNCC3)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.51 | Num_heavy_atoms: | 33 |
| TPSA: | 169.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD40601
Formula: C15H17O2N3S
Smiles:
COc1cccc(NC(=O)c2nc3c(s2)CCNCC3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.39 | Num_heavy_atoms: | 21 |
| TPSA: | 63.25 | NumAromaticRings: | 2 |
