Glycoside
...
GD121053

Name:
None

Formula:
C37H42O12N6

Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 11 FractionCSP3: 0.38
AlogP: -1.46 Num_rotatable_bonds: 11
MolWt: 762.77 Num_heavy_atoms: 55
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
AD48692
Formula: C19H19O5N3

Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.21
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 369.38 Num_heavy_atoms: 27
TPSA: 131.74 NumAromaticRings: 2

Sugarmoiety
SD04299

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