Glycoside
...
GD119876

Name:
Ambofuracin

Formula:
C27H32O12

Smiles:
COC(=O)CCC(=O)OCC1OC(OC)C(OC2c3ccc(O)cc3OC2Cc2ccc(O)cc2)C(O)C1O

Aglycone:
COC(=O)CCC(=O)OC.Oc1ccc(CC2Oc3cc(O)ccc3C2O)cc1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: 1.12 Num_rotatable_bonds: 10
MolWt: 548.54 Num_heavy_atoms: 39
TPSA: 170.44 NumAromaticRings: 2

Unique Aglycone
AD05232
Formula: C6H10O4

Smiles:
COC(=O)CCC(=O)OC
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.11 Num_rotatable_bonds: 3
MolWt: 146.14 Num_heavy_atoms: 10
TPSA: 52.6 NumAromaticRings: 0
AD48099
Formula: C15H14O4

Smiles:
Oc1ccc(CC2Oc3cc(O)ccc3C2O)cc1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.2
AlogP: 2.13 Num_rotatable_bonds: 2
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 69.92 NumAromaticRings: 2

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O