Glycoside
...
GD027506

Name:
None

Formula:
C25H36O9N2

Smiles:
COC(=O)OC[C@@H]1O[C@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)OC.Cc1c(Cc2ccc(OC(C)C)cc2)c(O)nn1C(C)C

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.6
AlogP: 2.12 Num_rotatable_bonds: 9
MolWt: 508.57 Num_heavy_atoms: 36
TPSA: 141.73 NumAromaticRings: 2

Unique Aglycone
AD10420
Formula: C3H6O3

Smiles:
COC(=O)OC
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.4 Num_rotatable_bonds: 0
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 35.53 NumAromaticRings: 0
AD12478
Formula: C17H24O2N2

Smiles:
Cc1c(Cc2ccc(OC(C)C)cc2)c(O)nn1C(C)C
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.47
AlogP: 3.86 Num_rotatable_bonds: 5
MolWt: 288.39 Num_heavy_atoms: 21
TPSA: 47.28 NumAromaticRings: 2

Sugarmoiety
SD00017

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