Glycoside
...
GD032692

Name:
Tremulacin

Formula:
C27H28O11

Smiles:
O=C(OC1C(Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)OC(CO)C(O)C1O)c1ccccc1

Aglycone:
O=C(O)c1ccccc1.O=C1CCC=CC1(O)C(=O)OCc1ccccc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.37
AlogP: 0.42 Num_rotatable_bonds: 8
MolWt: 528.51 Num_heavy_atoms: 38
TPSA: 169.05 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD07841
Formula: C14H14O5

Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 1.09 Num_rotatable_bonds: 3
MolWt: 262.26 Num_heavy_atoms: 19
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD00003

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