Glycoside
GD130030
Name:
[4,5-bis(acetyloxy)-6-{[3,4-bis(acetyloxy)-2,5-bis[(triphenylmethoxy)methyl]oxolan-2-yl]oxy}-3-hydroxyoxan-2-yl]methyl acetateFormula:
C60H60O16Smiles:
CC(=O)OCC1OC(OC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OAglycone:
COC(C)=O.COC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
CC(=O)OC1C(OC2(O)OC(O)C(OC(C)=O)C2OC(C)=O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 7.49 | Num_rotatable_bonds: | 20 |
| MolWt: | 1037.12 | Num_heavy_atoms: | 76 |
| TPSA: | 197.88 | NumAromaticRings: | 6 |
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 |
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
