Glycoside
GD011764
Name:
NoneFormula:
C11H18O8N3PSmiles:
NCCP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CCN.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.25 | Num_heavy_atoms: | 23 |
| TPSA: | 177.1 | 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 |
AD08951
Formula: C3H10O3NP
Smiles:
COP(=O)(O)CCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.09 | Num_heavy_atoms: | 8 |
| TPSA: | 72.55 | NumAromaticRings: | 0 |
