Glycoside
GD040353
Name:
[(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphateFormula:
C19H21O7N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](OP(=O)(O)OCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)OCCc1c[nH]c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.39 | Num_heavy_atoms: | 33 |
| TPSA: | 190.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24733
Formula: C10H12O4NP
Smiles:
O=P(O)(O)OCCc1c[nH]c2ccccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 241.18 | Num_heavy_atoms: | 16 |
| TPSA: | 82.55 | NumAromaticRings: | 2 |
