Glycoside
GD030681
Name:
NoneFormula:
C27H38O9N10Smiles:
NC[C@@H]1O[C@H](O[C@H](c2cn(CCN3CCN(c4ccc(N)cn4)CC3)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
Nc1ccc(N2CCN(CCn3cc(CO)nn3)CC2)nc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 646.66 | Num_heavy_atoms: | 46 |
| TPSA: | 265.59 | NumAromaticRings: | 3 |
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 |
AD19840
Formula: C14H21ON7
Smiles:
Nc1ccc(N2CCN(CCn3cc(CO)nn3)CC2)nc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 303.37 | Num_heavy_atoms: | 22 |
| TPSA: | 96.33 | NumAromaticRings: | 2 |
