Glycoside
GD135145
Name:
Hebevinoside ViFormula:
C41H68O12Smiles:
CC(C)=CCCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 752.98 | Num_heavy_atoms: | 53 |
| TPSA: | 198.76 | 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 |
