Glycoside
GD134681
Name:
AoibaclyinFormula:
C36H52O10Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(OC6OC(CO)C(O)C(O)C6O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 644.8 | Num_heavy_atoms: | 46 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52718
Formula: C30H42O5
Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 482.66 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
