Glycoside
GD117331
Name:
3,4,5-tris(benzyloxy)-2-{[4-(benzyloxy)-6-methyl-2-phenyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy}-6-[(benzyloxy)methyl]oxaneFormula:
C54H56O10Smiles:
CC1OC(OCc2ccccc2)C2OC(c3ccccc3)OC2C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC1OC(OCc2ccccc2)C2OC(c3ccccc3)OC2C1O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 9.51 | Num_rotatable_bonds: | 19 |
| MolWt: | 865.03 | Num_heavy_atoms: | 64 |
| TPSA: | 92.3 | NumAromaticRings: | 6 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
AD46766
Formula: C20H22O5
Smiles:
CC1OC(OCc2ccccc2)C2OC(c3ccccc3)OC2C1O| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
