Glycoside
...
GD127790

Name:
None

Formula:
C52H56O25

Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(OC4=Cc5c(cc(O)cc5OC5OC(CO)C(O)C(O)C5O)OC4c4ccc(O)cc4)OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C3O)C(O)C(O)C2O)ccc1O

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

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

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 13 FractionCSP3: 0.38
AlogP: -0.66 Num_rotatable_bonds: 17
MolWt: 1081.0 Num_heavy_atoms: 77
TPSA: 389.43 NumAromaticRings: 4

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
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD24597
Formula: C15H12O5

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.07
AlogP: 2.84 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 90.15 NumAromaticRings: 2

Sugarmoiety
SD02605

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