Glycoside
GD018008
Name:
2-{3-[14,15-dihydroxy-16-methoxy-14-(methoxycarbonyl)-4,8,12,15-tetramethyl-16-oxohexadeca-3,7-dien-1-yl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}acetic acidFormula:
C29H45O9NSmiles:
COC(=O)C(C)(O)[C@](O)(C[C@H](C)CCCC(C)=CCCC(C)=CCCC1=CCN(CC(=O)O)C1=O)C(=O)OCAglycone:
CC(=CCCC1=CCN(CC(=O)O)C1=O)CCC=C(C)CCCC(C)CSugarmoiety:
COC(=O)C(C)(O)C(O)(O)C(=O)OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.66 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 17 |
| MolWt: | 551.68 | Num_heavy_atoms: | 39 |
| TPSA: | 150.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD10469
Formula: C22H35O3N
Smiles:
CC(=CCCC1=CCN(CC(=O)O)C1=O)CCC=C(C)CCCC(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 361.53 | Num_heavy_atoms: | 26 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
