Glycoside
...
GD133284

Name:
Senburiside I

Formula:
C34H38O16

Smiles:
COc1cc(C=CC(=O)OC2C(OC3OC=C(C(=O)O)C4CC(OC(=O)c5cccc(O)c5)C(C)C34)OC(CO)C(O)C2O)cc(OC)c1O

Aglycone:
CC1C(OC(=O)c2cccc(O)c2)CC2C(C(=O)O)=COC(O)C21.COc1cc(C=CC(=O)O)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.44
AlogP: 1.32 Num_rotatable_bonds: 11
MolWt: 702.66 Num_heavy_atoms: 50
TPSA: 237.2 NumAromaticRings: 2

Unique Aglycone
AD03983
Formula: C11H12O5

Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.51 Num_rotatable_bonds: 4
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 1
AD46697
Formula: C17H18O7

Smiles:
CC1C(OC(=O)c2cccc(O)c2)CC2C(C(=O)O)=COC(O)C21
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.41
AlogP: 1.51 Num_rotatable_bonds: 3
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00003

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