Glycoside
GD023782
Name:
NoneFormula:
C20H25O6N5Smiles:
O=C(CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N1CCN(c2ccccn2)CC1Aglycone:
CCC(=O)N1CCN(c2ccccn2)CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 140.99 | 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 |
AD15967
Formula: C12H17ON3
Smiles:
CCC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 219.29 | Num_heavy_atoms: | 16 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
