Glycoside
...
GD125859

Name:
None

Formula:
C51H54O13N4

Smiles:
CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(OC7OC(C(=O)O)C(O)C(O)(CNC(=N)N)C7O)cc6o5)C4C31C=O)C2C1C=CCC(C)C1

Aglycone:
CNC(=N)N.CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(O)cc6o5)C4C31C=O)C2C1C=CCC(C)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 11
HBD: 12 FractionCSP3: 0.41
AlogP: 3.78 Num_rotatable_bonds: 10
MolWt: 931.01 Num_heavy_atoms: 68
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
AD50901
Formula: C43H41O7N

Smiles:
CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(O)cc6o5)C4C31C=O)C2C1C=CCC(C)C1
HBA: 8 RingCount: 10
HBD: 5 FractionCSP3: 0.35
AlogP: 7.36 Num_rotatable_bonds: 5
MolWt: 683.8 Num_heavy_atoms: 51
TPSA: 140.23 NumAromaticRings: 4

Sugarmoiety
SD04479

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