Glycoside
...
GD136305

Name:
None

Formula:
C32H38O11N2

Smiles:
COc1cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=O

Aglycone:
CCC1=CCNC(N)=C1.COc1cc(O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 9 FractionCSP3: 0.44
AlogP: 0.15 Num_rotatable_bonds: 11
MolWt: 626.66 Num_heavy_atoms: 45
TPSA: 221.26 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
AD53782
Formula: C19H18O6

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCCCO)cc(O)c1C2=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.26
AlogP: 2.2 Num_rotatable_bonds: 5
MolWt: 342.35 Num_heavy_atoms: 25
TPSA: 104.06 NumAromaticRings: 2

Sugarmoiety
SD04299

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