Glycoside
...
GD027268

Name:
MAHKOSIDE B

Formula:
C22H24O11

Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)c1

Aglycone:
COC(C)=O.COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.36
AlogP: 0.09 Num_rotatable_bonds: 7
MolWt: 464.42 Num_heavy_atoms: 33
TPSA: 172.21 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06298
Formula: C14H12O5

Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.04 Num_rotatable_bonds: 3
MolWt: 260.25 Num_heavy_atoms: 19
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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