Glycoside
...
GD151896

Name:
None

Formula:
C43H53O11N5

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1C=CC3=[NH+]C=CC31)C(O)C(O)CO)C1(CCCC(C3CN=C(O)C3)C1)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C3)C1)O2.CN1C=CC2=[NH+]C=CC21

Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 8 FractionCSP3: 0.53
AlogP: -1.16 Num_rotatable_bonds: 13
MolWt: 815.92 Num_heavy_atoms: 59
TPSA: 226.06 NumAromaticRings: 2

Unique Aglycone
AD47386
Formula: C7H9N2

Smiles:
CN1C=CC2=[NH+]C=CC21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -1.14 Num_rotatable_bonds: 0
MolWt: 121.16 Num_heavy_atoms: 9
TPSA: 17.21 NumAromaticRings: 0
AD48733
Formula: C30H34O5N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C3)C1)O2
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.5
AlogP: 2.84 Num_rotatable_bonds: 3
MolWt: 516.62 Num_heavy_atoms: 38
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04404

OCC(O)C(O)C(O)(O)C(O)COO