Glycoside
GD006461
Name:
NoneFormula:
C9H15O11N3P2Smiles:
Nc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.NC1=NC(=O)C=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.18 | Num_heavy_atoms: | 25 |
| TPSA: | 223.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD05351
Formula: C4H4ON3
Smiles:
NC1=NC(=O)C=C[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
