Glycoside
GD139415
Name:
methyl 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}tetradecanoateFormula:
C45H80O24Smiles:
CCCC(CCCCCCCCCC(=O)OC)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)OCSugarmoiety:
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: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 23 |
| MolWt: | 1005.11 | Num_heavy_atoms: | 69 |
| TPSA: | 361.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD52196
Formula: C15H30O3
Smiles:
CCCC(O)CCCCCCCCCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 258.4 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | 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