Glycoside
...
GD113066

Name:
None

Formula:
C45H40O12

Smiles:
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)c1ccccc1

Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCC1OC(c2ccccc2)OC2COC(c3ccccc3)OC12

Sugarmoiety:
OC1COC(O)C(O)C1O

Other 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)c1ccccc1
HBA: 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)OC12
HBA: 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

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O