Glycoside
GD136137
Name:
2-[7-(5-ethyl-3,4-dihydroxy-4-methyloxolan-2-yl)-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetateFormula:
C30H48O9Smiles:
CCC1OC(CC(C)C=CC=C(C)C2OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)C=CC2C)C(O)C1(C)OAglycone:
CC(=O)OC1C=CC(C)C(C(C)=CC=CC(C)C)OC(=O)CC(O)CCC1(C)OSugarmoiety:
CCC1OC(O)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.71 | Num_heavy_atoms: | 39 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD55029
Formula: C23H36O6
Smiles:
CC(=O)OC1C=CC(C)C(C(C)=CC=CC(C)C)OC(=O)CC(O)CCC1(C)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
