Glycoside
...
GD148998

Name:
None

Formula:
C32H39O11N5

Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CCC1=CCNC(N)=C1.CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 12 FractionCSP3: 0.41
AlogP: -1.29 Num_rotatable_bonds: 9
MolWt: 669.69 Num_heavy_atoms: 48
TPSA: 269.17 NumAromaticRings: 2

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
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
SD04528

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