Glycoside
...
GD156260

Name:
None

Formula:
C37H44O13N2

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(C5(C6=NC=[NH+]C6)CCCCC5)C(O)C4O)c(OC4(O)CCCCC4)c3O)O2)cc1

Aglycone:
C1=[NH+]CC(C2CCCCC2)=N1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCCC4)c3O)O2)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.54
AlogP: 1.11 Num_rotatable_bonds: 9
MolWt: 724.76 Num_heavy_atoms: 52
TPSA: 228.0 NumAromaticRings: 2

Unique Aglycone
AD60859
Formula: C22H23O7

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCCC4)c3O)O2)cc1
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.36
AlogP: 3.66 Num_rotatable_bonds: 4
MolWt: 399.42 Num_heavy_atoms: 29
TPSA: 105.45 NumAromaticRings: 2
AD61891
Formula: C9H15N2

Smiles:
C1=[NH+]CC(C2CCCCC2)=N1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.78
AlogP: 0.13 Num_rotatable_bonds: 1
MolWt: 151.23 Num_heavy_atoms: 11
TPSA: 26.33 NumAromaticRings: 0

Sugarmoiety
SD04330

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