Glycoside
GD108160
Name:
NoneFormula:
C29H27O14N3Smiles:
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)nn1Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.COc1ccc(N)nn1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 641.54 | Num_heavy_atoms: | 46 |
| TPSA: | 225.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD30697
Formula: C5H7ON3
Smiles:
COc1ccc(N)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
AD44411
Formula: C10H10O4
Smiles:
COc1cc(C=O)ccc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
