Glycoside
GD081933
Name:
NoneFormula:
C18H24O7N2SSmiles:
Cc1ccc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C3)CC2=O)s1Aglycone:
Cc1ccc(N2CC3(CCNC3)CC2=O)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.46 | Num_heavy_atoms: | 28 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD36800
Formula: C12H16ON2S
Smiles:
Cc1ccc(N2CC3(CCNC3)CC2=O)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.34 | Num_heavy_atoms: | 16 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
