Glycoside
GD030469
Name:
NoneFormula:
C25H34O13N2Smiles:
COC(=O)CNC(=O)C(C)N(C(=O)CC1OC(COc2ccccc2)C(O)C(O)C1O)C(CCC(=O)O)C(=O)OAglycone:
COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O.COc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 570.55 | Num_heavy_atoms: | 40 |
| TPSA: | 229.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD00247
Formula: C7H8O
Smiles:
COc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD07575
Formula: C13H20O8N2
Smiles:
COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 150.31 | NumAromaticRings: | 0 |
