Glycoside
GD022367
Name:
NoneFormula:
C19H23O7N3Smiles:
COc1cc(C=CCNC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)ccc1OAglycone:
CNCC=Cc1ccc(O)c(OC)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 146.04 | 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 |
AD00217
Formula: C11H15O2N
Smiles:
CNCC=Cc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
