Glycoside
...
GD132663

Name:
None

Formula:
C47H56O12N8

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)CCC3CC1=CNC(N)C=C1

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)CCC3CC1=CNC(N)C=C1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 14 FractionCSP3: 0.43
AlogP: -0.07 Num_rotatable_bonds: 13
MolWt: 925.01 Num_heavy_atoms: 67
TPSA: 324.37 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
AD53711
Formula: C29H33O5N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)C(NC(=N)NC)CCC3CC1=CNC(N)C=C1
HBA: 10 RingCount: 5
HBD: 8 FractionCSP3: 0.34
AlogP: 2.82 Num_rotatable_bonds: 5
MolWt: 531.61 Num_heavy_atoms: 39
TPSA: 169.79 NumAromaticRings: 2

Sugarmoiety
SD04299

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