Glycoside
GD118760
Name:
20-ethyl-6,7,9,11,12-pentahydroxy-10-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-2,24-dioxaspiro[bicyclo[21.3.1]heptacosane-25,2'-oxane]-4,17-dien-3-oneFormula:
C54H94O17Smiles:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(O)C(C)(O)CCCCC=CCC(CC)CCC(O2)C1CAglycone:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC=CCC(CC)CCC(O2)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 1015.33 | Num_heavy_atoms: | 71 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47515
Formula: C40H70O11
Smiles:
CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC=CCC(CC)CCC(O2)C1C| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 726.99 | Num_heavy_atoms: | 51 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
