Glycoside
...
GD141816

Name:
None

Formula:
C41H48O13N6

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(CCC=O)c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC=O)c(CNC(=N)NC)c(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 11 FractionCSP3: 0.41
AlogP: -1.08 Num_rotatable_bonds: 15
MolWt: 832.86 Num_heavy_atoms: 60
TPSA: 303.39 NumAromaticRings: 2

Unique Aglycone
AD45220
Formula: C23H25O6N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC=O)c(CNC(=N)NC)c(O)c1C2=O
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.3
AlogP: 1.82 Num_rotatable_bonds: 7
MolWt: 439.47 Num_heavy_atoms: 32
TPSA: 148.81 NumAromaticRings: 2
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O