Glycoside
GD141903
Name:
11-[(3-{[3,4-dihydroxy-5-({3-hydroxy-6-methyl-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]hexadecanoic acidFormula:
C46H82O24Smiles:
CCCCCC(CCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 25 |
| MolWt: | 1019.14 | Num_heavy_atoms: | 70 |
| TPSA: | 372.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD02342
Formula: C16H32O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD08775
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O