Glycoside
GD133622
Name:
2-(benzyloxy)-5-{[4-(benzyloxy)-3-hydroxy-6-methyl-5-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxane-3,4-diolFormula:
C53H62O13Smiles:
CC1OC(OCc2ccccc2)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OAglycone:
OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 19 |
| MolWt: | 907.07 | Num_heavy_atoms: | 66 |
| TPSA: | 152.99 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
