Glycoside
GD033590
Name:
NoneFormula:
C27H44O9N6Smiles:
CCCCCCCCCCn1cc(C[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)nn1Aglycone:
CCCCCCCCCCn1cc(CCO)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 16 |
| MolWt: | 596.68 | Num_heavy_atoms: | 42 |
| TPSA: | 220.2 | 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 |
AD21427
Formula: C14H27ON3
Smiles:
CCCCCCCCCCn1cc(CCO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 253.39 | Num_heavy_atoms: | 18 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
