Glycoside
GD128473
Name:
(4R)-4-HydroxyipecosideFormula:
C27H35O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2C(O)CN1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2C(O)CN1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 581.57 | Num_heavy_atoms: | 41 |
| TPSA: | 215.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD52038
Formula: C21H25O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2C(O)CN1C(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.76 | NumAromaticRings: | 1 |
