Glycoside
GD125300
Name:
16-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2,14-dihydroxyhexadecanoic acidFormula:
C30H54O16Smiles:
CC(=O)OCC1OC(OCCC(O)CCCCCCCCCCCC(O)C(=O)O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(O)C(O)CCCCCCCCCCCC(O)CCOSugarmoiety:
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 22 |
| MolWt: | 670.75 | Num_heavy_atoms: | 46 |
| TPSA: | 262.36 | 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 |
AD49757
Formula: C16H32O5
Smiles:
O=C(O)C(O)CCCCCCCCCCCC(O)CCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 304.43 | Num_heavy_atoms: | 21 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
