Glycoside
...
GD114936

Name:
Acanfolioside

Formula:
C37H46O17

Smiles:
COc1cc(C(=O)OC2C(OCC3C(CO)Cc4cc(OC)c(O)c(OC)c4C3c3cc(OC)c(O)c(OC)c3)OC(CO)C(O)C2O)cc(OC)c1O

Aglycone:
COc1cc(C(=O)O)cc(OC)c1O.COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.49
AlogP: 1.45 Num_rotatable_bonds: 14
MolWt: 762.76 Num_heavy_atoms: 54
TPSA: 241.75 NumAromaticRings: 3

Unique Aglycone
AD01165
Formula: C22H28O8

Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: 2.04 Num_rotatable_bonds: 7
MolWt: 420.46 Num_heavy_atoms: 30
TPSA: 117.84 NumAromaticRings: 2
AD16068
Formula: C9H10O5

Smiles:
COc1cc(C(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.11 Num_rotatable_bonds: 3
MolWt: 198.17 Num_heavy_atoms: 14
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD00003

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