Glycoside
GD035332
Name:
NoneFormula:
C18H31O11N4PSmiles:
CC(C)(CO)C(O)C(=O)NCCCOP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
COP(=O)(O)OCCCNC(=O)C(O)C(C)(C)CO.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 510.44 | Num_heavy_atoms: | 34 |
| TPSA: | 235.92 | 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 |
AD22368
Formula: C10H22O7NP
Smiles:
COP(=O)(O)OCCCNC(=O)C(O)C(C)(C)CO| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 299.26 | Num_heavy_atoms: | 19 |
| TPSA: | 125.32 | NumAromaticRings: | 0 |
