Glycoside
GD117612
Name:
NoneFormula:
C41H72O14Smiles:
COC1COC(OC2C(OC(CCC(C)C3CC(O)C4(C)C3(C)CCC3C5(C)CCC(O)C(O)C5(C)C(O)CC34O)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2(C)C1(C)CCC1C3(C)CCC(O)C(O)C3(C)C(O)CC12OSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 12 |
| MolWt: | 789.01 | Num_heavy_atoms: | 55 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46917
Formula: C29H52O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2(C)C1(C)CCC1C3(C)CCC(O)C(O)C3(C)C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
