Glycoside
GD032966
Name:
NoneFormula:
C21H32O10N6Smiles:
NC[C@@H]1O[C@H](O[C@H](c2cn(CCCCCO)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1.OCCCCCn1cc(CO)nn1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 528.52 | Num_heavy_atoms: | 37 |
| TPSA: | 240.43 | 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 |
AD21078
Formula: C8H15O2N3
Smiles:
OCCCCCn1cc(CO)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 185.23 | Num_heavy_atoms: | 13 |
| TPSA: | 71.17 | NumAromaticRings: | 1 |
