Glycoside
GD009613
Name:
NoneFormula:
C17H30O11N3P2Smiles:
CCCCCCCCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
CCCCCCCCOP(=O)([O-])OP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 14 |
| MolWt: | 514.39 | Num_heavy_atoms: | 33 |
| TPSA: | 215.72 | 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 |
AD07524
Formula: C9H21O7P2
Smiles:
CCCCCCCCOP(=O)([O-])OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 303.21 | Num_heavy_atoms: | 18 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
