Glycoside
GD132718
Name:
cavaol dFormula:
C35H50O13Smiles:
C=C(CO)C(CC=C(C)C)Cc1cc(C(OC(=O)CC(=O)OCC)C(=O)OC)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)C(CC=C(C)C)Cc1cc(C(OC(=O)CC(=O)OCC)C(=O)OC)cc(CC=C(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 678.77 | Num_heavy_atoms: | 48 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD53731
Formula: C29H40O8
Smiles:
C=C(CO)C(CC=C(C)C)Cc1cc(C(OC(=O)CC(=O)OCC)C(=O)OC)cc(CC=C(C)C)c1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 516.63 | Num_heavy_atoms: | 37 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
