Glycoside
GD031686
Name:
NoneFormula:
C20H31O16N4PSmiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COAglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -5.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.45 | Num_heavy_atoms: | 41 |
| TPSA: | 322.91 | 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 |
AD07483
Formula: C12H22O12NP
Smiles:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.28 | Num_heavy_atoms: | 26 |
| TPSA: | 212.31 | NumAromaticRings: | 0 |
