Glycoside
GD146254
Name:
ZiziphinFormula:
C51H80O18Smiles:
CC(=O)OC1C(OC2(C)CC(C=C(C)C)OC34CC5(CO3)C(CCC3C6(C)CCC(OC7OCC(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC35C)C24)OC(C)C(O)C1OC(C)=OAglycone:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 981.18 | Num_heavy_atoms: | 69 |
| TPSA: | 247.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD04367
Formula: C30H48O4
Smiles:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
