Glycoside
...
GD141847

Name:
6-{3-[(diaminomethylidene)azaniumyl]propyl}-6-[6-({2-[3,4-dihydroxy-5-(2-hydroxyethyl)phenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,3,4,5-tetrahydroxyoxane-2-carboxylate

Formula:
C33H39O20N3

Smiles:
N=C(N)NCCCC1(OC(=O)C2OC(Oc3cc(O)c4c(=O)cc(-c5cc(O)c(O)c(CCO)c5)oc4c3)C(O)C(O)C2O)OC(C(=O)O)C(O)(O)C(O)C1O

Aglycone:
CCCNC(=N)N.O=c1cc(-c2cc(O)c(O)c(CCO)c2)oc2cc(O)cc(O)c12

Sugarmoiety:
O=C(OC1(O)OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 16 FractionCSP3: 0.45
AlogP: -4.31 Num_rotatable_bonds: 12
MolWt: 797.68 Num_heavy_atoms: 56
TPSA: 405.93 NumAromaticRings: 3

Unique Aglycone
AD09414
Formula: C4H11N3

Smiles:
CCCNC(=N)N
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 0.75
AlogP: -0.12 Num_rotatable_bonds: 2
MolWt: 101.15 Num_heavy_atoms: 7
TPSA: 61.9 NumAromaticRings: 0
AD46301
Formula: C17H14O7

Smiles:
O=c1cc(-c2cc(O)c(O)c(CCO)c2)oc2cc(O)cc(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.12
AlogP: 1.82 Num_rotatable_bonds: 3
MolWt: 330.29 Num_heavy_atoms: 24
TPSA: 131.36 NumAromaticRings: 3

Sugarmoiety
SD08764

O=C(OC1(O)OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1O