Glycoside
...
GD122323

Name:
None

Formula:
C37H60O25N8P2

Smiles:
CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=O)O

Aglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:
CC(O)=NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 3
HBD: 16 FractionCSP3: 0.7
AlogP: -1.57 Num_rotatable_bonds: 28
MolWt: 1078.87 Num_heavy_atoms: 72
TPSA: 529.59 NumAromaticRings: 1

Unique Aglycone
AD00305
Formula: CH6O7P2

Smiles:
COP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.16 Num_rotatable_bonds: 3
MolWt: 192.0 Num_heavy_atoms: 10
TPSA: 113.29 NumAromaticRings: 0
AD15478
Formula: C4H4O2N2

Smiles:
O=c1nc(O)cc[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.52 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.98 NumAromaticRings: 1
AD49279
Formula: C20H35O9N5

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=O)O
HBA: 14 RingCount: 0
HBD: 9 FractionCSP3: 0.7
AlogP: 0.79 Num_rotatable_bonds: 16
MolWt: 489.53 Num_heavy_atoms: 34
TPSA: 251.21 NumAromaticRings: 0

Sugarmoiety
SD04807

CC(O)=NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1O