Glycoside
...
GD131105

Name:
None

Formula:
C34H42O9N2

Smiles:
NC1=CC(CCC2(O)C(O)C(CO)OC(Oc3cccc4c3C(=O)C3C(O)=CC(CC5CCCCC5)=CC3C4=O)C2O)=CCN1

Aglycone:
CCC1=CCNC(N)=C1.O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3)=CC12

Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 8 FractionCSP3: 0.53
AlogP: 2.31 Num_rotatable_bonds: 8
MolWt: 622.72 Num_heavy_atoms: 45
TPSA: 191.8 NumAromaticRings: 1

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
AD53123
Formula: C21H22O4

Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3)=CC12
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.43
AlogP: 4.36 Num_rotatable_bonds: 2
MolWt: 338.4 Num_heavy_atoms: 25
TPSA: 74.6 NumAromaticRings: 1

Sugarmoiety
SD04501

OCC1OC(O)C(O)C(O)(O)C1O