Glycoside
GD031370
Name:
NoneFormula:
C16H21O10N5SSmiles:
O=C(NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C1CC1Aglycone:
COS(=O)(=O)NC(=O)C(O)C(O)C1CC1.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 475.44 | Num_heavy_atoms: | 32 |
| TPSA: | 226.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD15872
Formula: C7H13O6NS
Smiles:
COS(=O)(=O)NC(=O)C(O)C(O)C1CC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 239.25 | Num_heavy_atoms: | 15 |
| TPSA: | 112.93 | NumAromaticRings: | 0 |
