Glycoside
GD126289
Name:
5-chloro-8-hydroxy-9-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-10-(trideca-1,3,5,7,10-pentaen-1-yl)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-oneFormula:
C41H59O12ClSmiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3CCC(O)C(C)O3)C(C)O2)C(C)O1Aglycone:
CC1OC(O)CCC1O.CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 767.35 | Num_heavy_atoms: | 53 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD49806
Formula: C23H29O4Cl
Smiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.92 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
