Glycoside
GD019965
Name:
NoneFormula:
C30H45O10N5Smiles:
CCCCCCCCc1ccc(NC(=O)[C@H](N)[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)cc1Aglycone:
CCCCCCCCc1ccc(NC(=O)C(N)CO)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 15 |
| MolWt: | 635.72 | Num_heavy_atoms: | 45 |
| TPSA: | 244.61 | 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 |
AD13857
Formula: C17H28O2N2
Smiles:
CCCCCCCCc1ccc(NC(=O)C(N)CO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 292.42 | Num_heavy_atoms: | 21 |
| TPSA: | 75.35 | NumAromaticRings: | 1 |
