Glycoside
GD126398
Name:
methyl 11-[(3-{[3-({3,4-dihydroxy-6-methyl-5-[(2-methylbut-2-enoyl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3-hydroxytetradecanoateFormula:
C38H66O18Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC2C(OC3C(OC(CCC)CCCCCCCC(O)CC(=O)OC)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C1OAglycone:
CC=C(C)C(=O)O.CCCC(O)CCCCCCCC(O)CC(=O)OCSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 21 |
| MolWt: | 810.93 | Num_heavy_atoms: | 56 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD49796
Formula: C15H30O4
Smiles:
CCCC(O)CCCCCCCC(O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 274.4 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
