Glycoside
GD016912
Name:
NoneFormula:
C20H24O8N4Smiles:
NC(CCc1ccccc1)C(=O)NC(C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(CCc1ccccc1)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.43 | Num_heavy_atoms: | 32 |
| TPSA: | 196.97 | 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 |
AD12122
Formula: C12H16O3N2
Smiles:
NC(CCc1ccccc1)C(=O)NCC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 92.42 | NumAromaticRings: | 1 |
