Glycoside
...
GD142303

Name:
None

Formula:
C49H54O13N4

Smiles:
CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc5o4)C3C1(C=O)C2

Aglycone:
CNC(=N)N.CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1(C=O)C2

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 12 FractionCSP3: 0.43
AlogP: 3.76 Num_rotatable_bonds: 10
MolWt: 906.99 Num_heavy_atoms: 66
TPSA: 298.35 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
AD57269
Formula: C41H41O7N

Smiles:
CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1(C=O)C2
HBA: 8 RingCount: 8
HBD: 5 FractionCSP3: 0.37
AlogP: 7.34 Num_rotatable_bonds: 5
MolWt: 659.78 Num_heavy_atoms: 49
TPSA: 140.23 NumAromaticRings: 4

Sugarmoiety
SD04479

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