Glycoside
GD011569
Name:
NoneFormula:
C9H16O14N3P3Smiles:
C[C@]1(O)[C@H](O)[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=OAglycone:
Nc1cc[nH]c(=O)n1.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.16 | Num_heavy_atoms: | 29 |
| TPSA: | 270.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
