Glycoside
...
GD131035

Name:
None

Formula:
C40H46O14N6

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 12 FractionCSP3: 0.4
AlogP: -2.15 Num_rotatable_bonds: 15
MolWt: 834.84 Num_heavy_atoms: 60
TPSA: 323.62 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
AD52219
Formula: C22H23O7N3

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.27
AlogP: 0.75 Num_rotatable_bonds: 7
MolWt: 441.44 Num_heavy_atoms: 32
TPSA: 169.04 NumAromaticRings: 2

Sugarmoiety
SD04299

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