Glycoside
GD001497
Name:
NoneFormula:
C25H47O10N3P2Smiles:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 21 |
| MolWt: | 611.61 | Num_heavy_atoms: | 40 |
| TPSA: | 203.66 | 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 |
AD01495
Formula: C17H38O6P2
Smiles:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.42 | Num_rotatable_bonds: | 18 |
| MolWt: | 400.43 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
