Glycoside
GD156056
Name:
1-{3,5-dihydroxy-6-[2-hydroxy-3-(3-hydroxy-7-{6-hydroxy-7-[3-hydroxy-7-(tricos-22-en-1-yl)-1,6-dioxaspiro[4.4]nonan-2-yl]-4-methylheptyl}-1,6-dioxaspiro[4.4]nonan-2-yl)propyl]-4-methoxyoxan-2-yl}-2,6-dihydroxy-8-methylidenepentadecan-4-oneFormula:
C70H126O15Smiles:
C=CCCCCCCCCCCCCCCCCCCCCCC1CCC2(CC(O)C(CC(O)CC(C)CCCC3CCC4(CC(O)C(CC(O)CC5OC(CC(O)CC(=O)CC(O)CC(=C)CCCCCCC)C(O)C(OC)C5O)O4)O3)O2)O1Aglycone:
C=C(CCCCCCC)CC(O)CC(=O)CC(C)O.C=CCCCCCCCCCCCCCCCCCCCCCC1CCC2(CC(O)C(CC(O)CC(C)CCCC3CCC4(CC(O)C(CC(C)O)O4)O3)O2)O1Sugarmoiety:
COC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 12.78 | Num_rotatable_bonds: | 49 |
| MolWt: | 1207.76 | Num_heavy_atoms: | 85 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD61829
Formula: C16H30O3
Smiles:
C=C(CCCCCCC)CC(O)CC(=O)CC(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 270.41 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD61830
Formula: C48H88O8
Smiles:
C=CCCCCCCCCCCCCCCCCCCCCCC1CCC2(CC(O)C(CC(O)CC(C)CCCC3CCC4(CC(O)C(CC(C)O)O4)O3)O2)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 11.13 | Num_rotatable_bonds: | 32 |
| MolWt: | 793.22 | Num_heavy_atoms: | 56 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
