Glycoside
...
GD153516

Name:
None

Formula:
C27H28O13N2

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=[NH+]C5)C(O)C4O)c(OCO)c3O)O2)cc1

Aglycone:
CC1=NC=[NH+]C1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OCO)c3O)O2)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 7 FractionCSP3: 0.37
AlogP: -2.16 Num_rotatable_bonds: 9
MolWt: 588.52 Num_heavy_atoms: 42
TPSA: 228.0 NumAromaticRings: 2

Unique Aglycone
AD50817
Formula: C4H7N2

Smiles:
CC1=NC=[NH+]C1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: -1.43 Num_rotatable_bonds: 0
MolWt: 83.11 Num_heavy_atoms: 6
TPSA: 26.33 NumAromaticRings: 0
AD61050
Formula: C17H15O7

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OCO)c3O)O2)cc1
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.18
AlogP: 1.96 Num_rotatable_bonds: 4
MolWt: 331.3 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 2

Sugarmoiety
SD04330

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