Glycoside
GD122303
Name:
HirtusneanosideFormula:
C40H46O17Smiles:
COC(=O)C12C(=O)c3cc(C)c(-c4c(C)cc5c(c4O)OC4=C(O)CC(C)C(O)C4(COC4OC(C)C(O)C(O)C4O)C5=O)c(O)c3OC1=C(O)C(C)C(C)C2OAglycone:
COC(=O)C12C(=O)c3cc(C)c(-c4c(C)cc5c(c4O)OC4=C(O)CC(C)C(O)C4(CO)C5=O)c(O)c3OC1=C(O)C(C)C(C)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 798.79 | Num_heavy_atoms: | 57 |
| TPSA: | 279.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD49271
Formula: C34H36O13
Smiles:
COC(=O)C12C(=O)c3cc(C)c(-c4c(C)cc5c(c4O)OC4=C(O)CC(C)C(O)C4(CO)C5=O)c(O)c3OC1=C(O)C(C)C(C)C2O| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 652.65 | Num_heavy_atoms: | 47 |
| TPSA: | 220.51 | NumAromaticRings: | 2 |
