Glycoside
GD141589
Name:
Ipecosidic AcidFormula:
C26H33O12NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1c2cc(O)c(O)cc2CCN1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1c2cc(O)c(O)cc2CCN1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 551.55 | Num_heavy_atoms: | 39 |
| TPSA: | 206.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD57028
Formula: C20H23O7N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 389.4 | Num_heavy_atoms: | 28 |
| TPSA: | 127.53 | NumAromaticRings: | 1 |
