Glycoside
GD123800
Name:
4-(benzyloxy)-2-{[4-(benzyloxy)-2,2,6-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy}-6-methyl-5-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-olFormula:
C56H66O13Smiles:
CC1OC(OC2C(C)OC(OCc3ccccc3)C3OC(C)(C)OC23)C(O)C(OCc2ccccc2)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC1OC(OCc2ccccc2)C2OC(C)(C)OC2C1O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 8.43 | Num_rotatable_bonds: | 19 |
| MolWt: | 947.13 | Num_heavy_atoms: | 69 |
| TPSA: | 130.99 | 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 |
AD49979
Formula: C16H22O5
Smiles:
CC1OC(OCc2ccccc2)C2OC(C)(C)OC2C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.35 | Num_heavy_atoms: | 21 |
| TPSA: | 57.15 | NumAromaticRings: | 1 |
