Glycoside
...
GD131310

Name:
6'-O-Caffeoylcatalpol

Formula:
C24H28O13

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OCC12OC1C(O)C1C=COC(O)C12

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.54
AlogP: -1.91 Num_rotatable_bonds: 7
MolWt: 524.48 Num_heavy_atoms: 37
TPSA: 208.13 NumAromaticRings: 1

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD04913
Formula: C9H12O5

Smiles:
OCC12OC1C(O)C1C=COC(O)C12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: -1.41 Num_rotatable_bonds: 1
MolWt: 200.19 Num_heavy_atoms: 14
TPSA: 82.45 NumAromaticRings: 0

Sugarmoiety
SD00017

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