Glycoside
GD035617
Name:
NoneFormula:
C42H58O12Smiles:
CC(=CC=CC=CC1C(C)=CC2C(OC3OC(C)C(O)C(O)C3O)CCCC2C2C(=O)OC(=O)C(C)=C3CC(O)CC3=C12)CC(C)CC(O)C(C)C(=O)OAglycone:
CC(=CC=CC=CC1C(C)=CC2C(O)CCCC2C2C(=O)OC(=O)C(C)=C3CC(O)CC3=C12)CC(C)CC(O)C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 754.91 | Num_heavy_atoms: | 54 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD22525
Formula: C36H48O8
Smiles:
CC(=CC=CC=CC1C(C)=CC2C(O)CCCC2C2C(=O)OC(=O)C(C)=C3CC(O)CC3=C12)CC(C)CC(O)C(C)C(=O)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.77 | Num_heavy_atoms: | 44 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
