Glycoside
GD009409
Name:
NoneFormula:
C9H17O12N4P3Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](OP(=O)(O)NP(=O)(O)NP(=O)(O)O)O2)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)NP(=O)(O)NP(=O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.17 | Num_heavy_atoms: | 28 |
| TPSA: | 249.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07379
Formula: H7O8N2P3
Smiles:
O=P(O)(O)NP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 255.98 | Num_heavy_atoms: | 13 |
| TPSA: | 176.42 | NumAromaticRings: | 0 |
