Glycoside
GD008058
Name:
NoneFormula:
C21H23O8N3Smiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NC(Cc1ccccc1)C(=O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.43 | Num_heavy_atoms: | 32 |
| TPSA: | 159.95 | 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 |
AD06484
Formula: C13H15O3N
Smiles:
C=CC(=O)NC(Cc1ccccc1)C(=O)OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
