Glycoside
GD142603
Name:
Hebevinoside IxFormula:
C35H58O7Smiles:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12CAglycone:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.84 | Num_heavy_atoms: | 42 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD47019
Formula: C30H50O3
Smiles:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
