Glycoside
GD027255
Name:
NoneFormula:
C33H48O9N6Smiles:
NC[C@@H]1O[C@H](O[C@H](Cc2cn(CCCCCCCCCCc3ccccc3)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.OCCc1cn(CCCCCCCCCCc2ccccc2)nn1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 18 |
| MolWt: | 672.78 | Num_heavy_atoms: | 48 |
| TPSA: | 220.2 | 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 |
AD17932
Formula: C20H31ON3
Smiles:
OCCc1cn(CCCCCCCCCCc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 329.49 | Num_heavy_atoms: | 24 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
