Glycoside
GD010151
Name:
NoneFormula:
C16H23O15N3P2Smiles:
O=c1[nH]cnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.O=c1[nH]cnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.31 | Num_heavy_atoms: | 36 |
| TPSA: | 272.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD07880
Formula: C6H4ON3
Smiles:
O=c1[nH]cnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 59.85 | NumAromaticRings: | 1 |
