Glycoside
...
GD142147

Name:
None

Formula:
C34H40O14N2

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=[NH+]C5)C(O)C4O)c(OC4(O)CCCC(CCO)C4)c3O)O2)cc1

Aglycone:
CC1=NC=[NH+]C1.COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCC(CCO)C4)c3O)O2)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.5
AlogP: -0.84 Num_rotatable_bonds: 11
MolWt: 700.69 Num_heavy_atoms: 50
TPSA: 248.23 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
AD57214
Formula: C24H27O8

Smiles:
COc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCC(CCO)C4)c3O)O2)cc1
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.42
AlogP: 3.27 Num_rotatable_bonds: 6
MolWt: 443.47 Num_heavy_atoms: 32
TPSA: 125.68 NumAromaticRings: 2

Sugarmoiety
SD04330

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