Glycoside
...
GD117504

Name:
Praeroside I

Formula:
C28H30O13

Smiles:
COc1cc(C(=O)OCC2OC(OC(C)(C)C3Cc4cc5ccc(=O)oc5c(O)c4O3)C(O)C(O)C2O)ccc1O

Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1.COC(=O)c1ccc(O)c(OC)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.43
AlogP: 0.98 Num_rotatable_bonds: 7
MolWt: 574.54 Num_heavy_atoms: 41
TPSA: 194.58 NumAromaticRings: 3

Unique Aglycone
AD00095
Formula: C9H10O4

Smiles:
COC(=O)c1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 55.76 NumAromaticRings: 1
AD00868
Formula: C14H14O5

Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 1.57 Num_rotatable_bonds: 1
MolWt: 262.26 Num_heavy_atoms: 19
TPSA: 79.9 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O