Glycoside
GD027770
Name:
NoneFormula:
C19H21O6N5Smiles:
Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)nc2c1Aglycone:
Cc1ccc2[nH]c(CN(C)C=O)nc2c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.41 | Num_heavy_atoms: | 30 |
| TPSA: | 153.54 | NumAromaticRings: | 3 |
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 |
AD18214
Formula: C11H13ON3
Smiles:
Cc1ccc2[nH]c(CN(C)C=O)nc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 48.99 | NumAromaticRings: | 2 |
