Glycoside
...
GD116000

Name:
4-{[(diaminomethylidene)amino]methyl}-6-[(5,6-dihydroxy-2-{4-hydroxy-2-[16-(methylamino)tetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-3,5,7,9-tetraen-3-yl]phenyl}-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C41H44O12N4

Smiles:
CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc5o4)C3C1C2

Aglycone:
CNC(=N)N.CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1C2

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 12 FractionCSP3: 0.39
AlogP: 2.36 Num_rotatable_bonds: 8
MolWt: 784.82 Num_heavy_atoms: 57
TPSA: 281.28 NumAromaticRings: 4

Unique Aglycone
AD01954
Formula: C2H7N3

Smiles:
CNC(=N)N
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 0.5
AlogP: -0.9 Num_rotatable_bonds: 0
MolWt: 73.1 Num_heavy_atoms: 5
TPSA: 61.9 NumAromaticRings: 0
AD45990
Formula: C33H31O6N

Smiles:
CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1C2
HBA: 7 RingCount: 7
HBD: 5 FractionCSP3: 0.3
AlogP: 5.94 Num_rotatable_bonds: 3
MolWt: 537.61 Num_heavy_atoms: 40
TPSA: 123.16 NumAromaticRings: 4

Sugarmoiety
SD04479

O=C(O)C1OC(O)C(O)C(O)(O)C1O