Glycoside
GD126953
Name:
6-({5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-2-(hydroxymethyl)-4,5-bis[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylhexanoateFormula:
C35H60O15Smiles:
CC(=O)OCC1OC(CO)(OC2OC(CO)C(OC(=O)CCCC(C)C)C(OC(=O)CCCC(C)C)C2OC(=O)CCCC(C)C)C(O)C1OAglycone:
CC(C)CCCC(=O)O.CC(C)CCCC(=O)O.CC(C)CCCC(=O)O.COC(C)=OSugarmoiety:
OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 21 |
| MolWt: | 720.85 | Num_heavy_atoms: | 50 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46627
Formula: C7H14O2
Smiles:
CC(C)CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
