Glycoside
...
GD155277

Name:
None

Formula:
C32H36O13N4

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3CNCN3)C(O)C2O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O

Aglycone:
CC1CNCN1.COc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 11 FractionCSP3: 0.38
AlogP: -0.25 Num_rotatable_bonds: 11
MolWt: 684.66 Num_heavy_atoms: 49
TPSA: 271.45 NumAromaticRings: 4

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
AD50229
Formula: C22H20O7N2

Smiles:
COc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.14
AlogP: 2.9 Num_rotatable_bonds: 6
MolWt: 424.41 Num_heavy_atoms: 31
TPSA: 151.17 NumAromaticRings: 4

Sugarmoiety
SD04330

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