Glycoside
GD124992
Name:
11-{[3-({3,4-dihydroxy-5-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}tetradecanoic acidFormula:
C44H78O24Smiles:
CCCC(CCCCCCCCCC(=O)O)OC1OC(C)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
CCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 23 |
| MolWt: | 991.08 | Num_heavy_atoms: | 68 |
| TPSA: | 372.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD06792
Formula: C14H28O3
Smiles:
CCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD02529
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O