Glycoside
...
GD110705

Name:
None

Formula:
C23H23O10NBr2

Smiles:
CC(=O)OC[C@H]1O[C@H](Oc2c(Br)cc(Br)c3cccnc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1c(Br)cc(Br)c2cccnc12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.43
AlogP: 3.22 Num_rotatable_bonds: 7
MolWt: 633.24 Num_heavy_atoms: 36
TPSA: 136.55 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
AD44661
Formula: C9H5ONBr2

Smiles:
Oc1c(Br)cc(Br)c2cccnc12
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.47 Num_rotatable_bonds: 0
MolWt: 302.95 Num_heavy_atoms: 13
TPSA: 33.12 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O