Glycoside
...
GD015835

Name:
CALCEOLARIOSIDE A

Formula:
C23H26O11

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1[C@H](CO)O[C@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: 0.13 Num_rotatable_bonds: 8
MolWt: 478.45 Num_heavy_atoms: 34
TPSA: 186.37 NumAromaticRings: 2

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

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O