Glycoside
GD140761
Name:
NoneFormula:
C42H66O15Smiles:
CCCC=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(OC1OCC(OC)C(OC3OCC(OC)C(O)C3O)C1OC)C2(C)CAglycone:
CCCC=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2(C)CSugarmoiety:
COC1COC(OC2C(OC)COC(O)C2OC)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 810.98 | Num_heavy_atoms: | 57 |
| TPSA: | 187.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD56750
Formula: C29H44O7
Smiles:
CCCC=CC=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
