Glycoside
GD014390
Name:
NoneFormula:
C22H29O10N4PSmiles:
CCOP(=O)(Cc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1)OCCAglycone:
CCOP(=O)(Cc1ccc(NC(=O)CNC=O)cc1)OCC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.47 | Num_heavy_atoms: | 37 |
| TPSA: | 198.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD10282
Formula: C14H21O5N2P
Smiles:
CCOP(=O)(Cc1ccc(NC(=O)CNC=O)cc1)OCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 328.31 | Num_heavy_atoms: | 22 |
| TPSA: | 93.73 | NumAromaticRings: | 1 |
