Glycoside
GD125230
Name:
Hirsutaside DFormula:
C43H52O18N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCc1cnc(CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)c2[nH]c3ccccc3c12Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CCc1cnc(CC2C(C(=O)OC)=COC(O)C2C=C)c2[nH]c3ccccc3c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.51 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 884.89 | Num_heavy_atoms: | 63 |
| TPSA: | 309.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD50642
Formula: C31H32O8N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCc1cnc(CC2C(C(=O)OC)=COC(O)C2C=C)c2[nH]c3ccccc3c12| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.6 | Num_heavy_atoms: | 41 |
| TPSA: | 151.2 | NumAromaticRings: | 3 |
