Glycoside
GD094998
Name:
NoneFormula:
C20H25O7N3SSmiles:
Cc1nc(Cn2c3c(ccc2=O)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC3)cs1Aglycone:
Cc1nc(Cn2c3c(ccc2=O)CCNCC3)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 153.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD40590
Formula: C14H17ON3S
Smiles:
Cc1nc(Cn2c3c(ccc2=O)CCNCC3)cs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.38 | Num_heavy_atoms: | 19 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
