Glycoside
...
GD141338

Name:
None

Formula:
C66H70O33

Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(C=CC(=O)OCC3OC(OC4=Cc5c(cc(O)cc5OC5OC(CO)C(O)C(O)C5O)OC4c4ccc(O)c(O)c4)C(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)C(O)C3O)cc2O)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 10
HBD: 18 FractionCSP3: 0.38
AlogP: -1.81 Num_rotatable_bonds: 22
MolWt: 1391.25 Num_heavy_atoms: 99
TPSA: 526.11 NumAromaticRings: 5

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD44975
Formula: C15H12O6

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 2.54 Num_rotatable_bonds: 1
MolWt: 288.25 Num_heavy_atoms: 21
TPSA: 110.38 NumAromaticRings: 2

Sugarmoiety
SD04728

OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O