Glycoside
GD001553
Name:
NoneFormula:
C19H30O8N4Smiles:
CCCNC(CC(C)C)C(=O)NC(C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCNC(CC(C)C)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 442.47 | Num_heavy_atoms: | 31 |
| TPSA: | 182.98 | NumAromaticRings: | 1 |
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 |
AD01549
Formula: C11H22O3N2
Smiles:
CCCNC(CC(C)C)C(=O)NCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 230.31 | Num_heavy_atoms: | 16 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
