Glycoside
GD013461
Name:
NoneFormula:
C40H52O11N6Smiles:
NC[C@@H]1O[C@H](O[C@H](Cc2cn(CCCCCCCCCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(c1ccccc1)c1ccc(OCCCCCCCCCCn2cc(CCO)nn2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 21 |
| MolWt: | 792.89 | Num_heavy_atoms: | 57 |
| TPSA: | 246.5 | NumAromaticRings: | 4 |
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 |
AD10038
Formula: C27H35O3N3
Smiles:
O=C(c1ccccc1)c1ccc(OCCCCCCCCCCn2cc(CCO)nn2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 449.6 | Num_heavy_atoms: | 33 |
| TPSA: | 77.24 | NumAromaticRings: | 3 |
