Glycoside
GD151612
Name:
4-({4-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 11-hydroxyhexadecanoateFormula:
C40H72O22Smiles:
CCCCCC(O)CCCCCCCCCC(=O)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.97 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 24 |
| MolWt: | 904.99 | Num_heavy_atoms: | 62 |
| TPSA: | 353.9 | 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 |
