Glycoside
...
GD146521

Name:
None

Formula:
C39H46O13N6

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

Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 12 FractionCSP3: 0.41
AlogP: -1.58 Num_rotatable_bonds: 12
MolWt: 806.83 Num_heavy_atoms: 58
TPSA: 306.55 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
AD50074
Formula: C21H23O5N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.29
AlogP: 2.0 Num_rotatable_bonds: 4
MolWt: 397.43 Num_heavy_atoms: 29
TPSA: 131.74 NumAromaticRings: 2

Sugarmoiety
SD04528

OCC1(O)OC(O)C(O)C(O)C1(O)O