Glycoside
GD104590
Name:
NoneFormula:
C24H41O7N3Smiles:
CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCNC(=O)CO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 483.61 | Num_heavy_atoms: | 34 |
| TPSA: | 153.88 | 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 |
AD44001
Formula: C16H33O2N
Smiles:
CCCCCCCCCCCCCCNC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 14 |
| MolWt: | 271.44 | Num_heavy_atoms: | 19 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
