Glycoside
...
GD135734

Name:
None

Formula:
C45H44O12N4

Smiles:
CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc4o2)C5C31

Aglycone:
CNC(=N)N.CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(O)cc4o2)C5C31

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

Other Identifiers

Properties
HBA: 16 RingCount: 11
HBD: 12 FractionCSP3: 0.36
AlogP: 2.34 Num_rotatable_bonds: 8
MolWt: 832.86 Num_heavy_atoms: 61
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
AD54881
Formula: C37H31O6N

Smiles:
CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(O)cc4o2)C5C31
HBA: 7 RingCount: 10
HBD: 5 FractionCSP3: 0.27
AlogP: 5.92 Num_rotatable_bonds: 3
MolWt: 585.66 Num_heavy_atoms: 44
TPSA: 123.16 NumAromaticRings: 4

Sugarmoiety
SD04479

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