Glycoside
...
GD152464

Name:
None

Formula:
C40H47O11N5

Smiles:
CNC(=N)NCc1c(CCc2ccccc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CCC1=CCNC(N)=C1.CNC(=N)NCc1c(CCc2ccccc2)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: 16 RingCount: 6
HBD: 12 FractionCSP3: 0.38
AlogP: 0.36 Num_rotatable_bonds: 13
MolWt: 773.84 Num_heavy_atoms: 56
TPSA: 269.17 NumAromaticRings: 3

Unique Aglycone
AD44859
Formula: C7H12N2

Smiles:
CCC1=CCNC(N)=C1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.43
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 124.19 Num_heavy_atoms: 9
TPSA: 38.05 NumAromaticRings: 0
AD47436
Formula: C27H27O6N3

Smiles:
CNC(=N)NCc1c(CCc2ccccc2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.22
AlogP: 2.4 Num_rotatable_bonds: 7
MolWt: 489.53 Num_heavy_atoms: 36
TPSA: 151.97 NumAromaticRings: 3

Sugarmoiety
SD04299

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