Glycoside
GD144976
Name:
methyl 16-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2,15-dihydroxyhexadecanoateFormula:
C31H56O16Smiles:
COC(=O)C(O)CCCCCCCCCCCCC(O)COC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)C(O)CCCCCCCCCCCCC(O)CO.COC(C)=OSugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 22 |
| MolWt: | 684.77 | Num_heavy_atoms: | 47 |
| TPSA: | 251.36 | 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 |
AD58222
Formula: C17H34O5
Smiles:
COC(=O)C(O)CCCCCCCCCCCCC(O)CO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 15 |
| MolWt: | 318.45 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
