Glycoside
GD145476
Name:
NoneFormula:
C27H32O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1=c2[nH]c3ccccc3c2=CCN1CAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1=c2[nH]c3ccccc3c2=CCN1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.56 | Num_heavy_atoms: | 38 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD58392
Formula: C21H22O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1=c2[nH]c3ccccc3c2=CCN1C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.42 | Num_heavy_atoms: | 27 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
