Glycoside
...
GD131910

Name:
Turrillioside B

Formula:
C45H54O23

Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(C)OC(OCC4OC(OCCc5ccc(O)c(O)c5)C(O)C(O)C4OC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)ccc1O

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

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 12 FractionCSP3: 0.47
AlogP: -1.21 Num_rotatable_bonds: 17
MolWt: 962.9 Num_heavy_atoms: 68
TPSA: 359.97 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
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

Sugarmoiety
SD07439

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O