Glycoside
...
GD142449

Name:
None

Formula:
C41H48O12N6

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(NC(=N)NC)CCC3

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(NC(=N)NC)CCC3

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 11 FractionCSP3: 0.44
AlogP: -0.33 Num_rotatable_bonds: 11
MolWt: 816.86 Num_heavy_atoms: 59
TPSA: 286.32 NumAromaticRings: 2

Unique Aglycone
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
AD46195
Formula: C23H25O5N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(NC(=N)NC)CCC3
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.57 Num_rotatable_bonds: 3
MolWt: 423.47 Num_heavy_atoms: 31
TPSA: 131.74 NumAromaticRings: 2

Sugarmoiety
SD04299

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