Glycoside
GD081511
Name:
NoneFormula:
C17H24O8N2SSmiles:
O=C(NC1(Cc2cccnc2)CCS(=O)(=O)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
NC1(Cc2cccnc2)CCS(=O)(=O)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.45 | Num_heavy_atoms: | 28 |
| TPSA: | 174.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD36693
Formula: C11H16O2N2S
Smiles:
NC1(Cc2cccnc2)CCS(=O)(=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.33 | Num_heavy_atoms: | 16 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
