Glycoside
GD033020
Name:
NoneFormula:
C10H16O12N2P2Smiles:
COc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COC1=NC(=O)C=C[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.19 | Num_heavy_atoms: | 26 |
| TPSA: | 207.1 | 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 |
AD10651
Formula: C5H5O2N2
Smiles:
COC1=NC(=O)C=C[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.76 | NumAromaticRings: | 0 |
