Glycoside
...
GD130196

Name:
None

Formula:
C33H32O13N2

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=[NH+]C5)C(O)C4O)c(OCc4cccc(O)c4)c3O)O2)cc1

Aglycone:
CC1=NC=[NH+]C1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OCc4cccc(O)c4)c3O)O2)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.3
AlogP: -0.2 Num_rotatable_bonds: 10
MolWt: 664.62 Num_heavy_atoms: 48
TPSA: 228.0 NumAromaticRings: 3

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
AD52755
Formula: C23H19O7

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OCc4cccc(O)c4)c3O)O2)cc1
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.13
AlogP: 3.91 Num_rotatable_bonds: 5
MolWt: 407.4 Num_heavy_atoms: 30
TPSA: 105.45 NumAromaticRings: 3

Sugarmoiety
SD04330

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