Glycoside
GD137653
Name:
Desoxycordifolinic_AcidFormula:
C27H28O11N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 211.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD55601
Formula: C21H18O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 132.74 | NumAromaticRings: | 3 |
