Glycoside
GD153540
Name:
[5-(acetyloxy)-3-hydroxy-6-{[4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}-4-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C51H62O21Smiles:
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OAglycone:
COC(C)=O.COC(C)=O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC2OC(O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 21 |
| MolWt: | 1011.04 | Num_heavy_atoms: | 72 |
| TPSA: | 251.87 | NumAromaticRings: | 3 |
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 |
