Glycoside
GD154922
Name:
[3,4,5-tris(acetyloxy)-6-{[4,5-bis(benzyloxy)-2-{[4,5-bis(benzyloxy)-2-methoxy-6-methyloxan-3-yl]oxy}-6-methyloxan-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C55H66O18Smiles:
COC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.49 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 22 |
| MolWt: | 1015.12 | Num_heavy_atoms: | 73 |
| TPSA: | 197.5 | NumAromaticRings: | 4 |
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 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
