Glycoside
GD009790
Name:
34-Dehydro-StrictosidineFormula:
C27H32O9N2Smiles:
C=CC1C(CC2=NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1=NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.56 | Num_heavy_atoms: | 38 |
| TPSA: | 163.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD07650
Formula: C21H22O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1=NCCc2c1[nH]c1ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.42 | Num_heavy_atoms: | 27 |
| TPSA: | 83.91 | NumAromaticRings: | 2 |
