Glycoside

GD031896
Name:
34-Dehydrostrictosidine AcidFormula:
C26H30O9N2Smiles:
C=CC1C(CC2=NCCc3c2[nH]c2ccccc32)C(C(=O)O)=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)O)C1CC1=NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.46 |
AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
MolWt: | 514.53 | Num_heavy_atoms: | 37 |
TPSA: | 174.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD20511
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1=NCCc2c1[nH]c1ccccc21HBA: | 6 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.3 |
AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
MolWt: | 352.39 | Num_heavy_atoms: | 26 |
TPSA: | 94.91 | NumAromaticRings: | 2 |