Glycoside
GD085610
Name:
NoneFormula:
C15H26O8N3PSmiles:
CCCOP(=O)(OCCC)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1OAglycone:
CCCOP(=O)(OC)OCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 407.36 | Num_heavy_atoms: | 27 |
| TPSA: | 155.36 | 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 |
AD38164
Formula: C7H17O4P
Smiles:
CCCOP(=O)(OC)OCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 196.18 | Num_heavy_atoms: | 12 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
