Glycoside
GD120018
Name:
methyl 11-[(5-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]hexadecanoateFormula:
C41H74O19Smiles:
CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OCSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 22 |
| MolWt: | 871.02 | Num_heavy_atoms: | 60 |
| TPSA: | 282.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD07458
Formula: C17H34O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 286.46 | Num_heavy_atoms: | 20 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
