Glycoside
GD025299
Name:
NoneFormula:
C20H32O16N5PSmiles:
NCC(=O)NC1C(O)CC(OP(=O)(O)OC[C@@H]2OC(n3ccc(N)nc3=O)[C@H](O)[C@H]2O)(C(=O)O)OC1[C@H](O)C(O)COAglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)CN)C(C(O)C(O)CO)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.7 |
| AlogP: | -6.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 629.47 | Num_heavy_atoms: | 42 |
| TPSA: | 348.93 | 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 |
AD16793
Formula: C12H23O12N2P
Smiles:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)CN)C(C(O)C(O)CO)O1| HBA: | 14 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 418.29 | Num_heavy_atoms: | 27 |
| TPSA: | 238.33 | NumAromaticRings: | 0 |
