Glycoside

GD113066
Name:
NoneFormula:
C45H40O12Smiles:
O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)CO[C@H](OC[C@@H]2O[C@H](c3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]23)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCC1OC(c2ccccc2)OC2COC(c3ccccc3)OC12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 0 | FractionCSP3: | 0.27 |
AlogP: | 6.63 | Num_rotatable_bonds: | 11 |
MolWt: | 772.8 | Num_heavy_atoms: | 57 |
TPSA: | 134.28 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
MolWt: | 122.12 | Num_heavy_atoms: | 9 |
TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44805
Formula: C19H20O5
Smiles:
OCC1OC(c2ccccc2)OC2COC(c3ccccc3)OC12HBA: | 5 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.37 |
AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
MolWt: | 328.36 | Num_heavy_atoms: | 24 |
TPSA: | 57.15 | NumAromaticRings: | 2 |