Glycoside
GD003763
Name:
NoneFormula:
C18H29O9N2SSmiles:
O=c1ccn([C@@H]2O[C@H](COCCC[S+]3C[C@@H]([C@H](O)CO)[C@@H](O)C3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COCCC[S+]1CC(O)C(C(O)CO)C1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.5 | Num_heavy_atoms: | 30 |
| TPSA: | 174.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD03375
Formula: C10H21O4S
Smiles:
COCCC[S+]1CC(O)C(C(O)CO)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 237.34 | Num_heavy_atoms: | 15 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
