Glycoside
GD028774
Name:
NoneFormula:
C20H25O7N3Smiles:
COCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COCCN(C=O)Cc1ccc(C)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.43 | Num_heavy_atoms: | 30 |
| TPSA: | 134.09 | 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 |
AD18761
Formula: C12H17O2N
Smiles:
COCCN(C=O)Cc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.27 | Num_heavy_atoms: | 15 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
