Glycoside
...
GD120353

Name:
None

Formula:
C31H36O12N2

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3CNCN3)C(O)C2O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O

Aglycone:
CC1CNCN1.COc1c(O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.48
AlogP: 1.05 Num_rotatable_bonds: 9
MolWt: 628.63 Num_heavy_atoms: 45
TPSA: 209.41 NumAromaticRings: 3

Unique Aglycone
AD45423
Formula: C4H10N2

Smiles:
CC1CNCN1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.47 Num_rotatable_bonds: 0
MolWt: 86.14 Num_heavy_atoms: 6
TPSA: 24.06 NumAromaticRings: 0
AD48339
Formula: C21H20O6

Smiles:
COc1c(O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.29
AlogP: 4.2 Num_rotatable_bonds: 4
MolWt: 368.39 Num_heavy_atoms: 27
TPSA: 89.13 NumAromaticRings: 3

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O