Glycoside
...
GD147771

Name:
helioside b

Formula:
C48H58O27

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC(=O)C=Cc3ccc(O)c(O)c3)C(COC3OCC(O)C(O)C3O)OC(OCCc3ccc(O)c(O)c3)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1

Sugarmoiety:
OC1COC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 7
HBD: 15 FractionCSP3: 0.5
AlogP: -3.44 Num_rotatable_bonds: 18
MolWt: 1066.97 Num_heavy_atoms: 75
TPSA: 429.89 NumAromaticRings: 3

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD00128
Formula: C8H10O3

Smiles:
OCCc1ccc(O)c(O)c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: 0.63 Num_rotatable_bonds: 2
MolWt: 154.16 Num_heavy_atoms: 11
TPSA: 60.69 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

Sugarmoiety
SD09485

OC1COC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C1O