Glycoside
...
GD134755

Name:
None

Formula:
C37H46O9N2

Smiles:
NC1=CC(C2(CC3(O)C(O)C(CO)OC(Oc4cccc5c4C(=O)C4C(O)=CC(C6CCCCC6)=CC4C5=O)C3O)CCCC2)=CCN1

Aglycone:
CC1(C2=CCNC(N)=C2)CCCC1.O=C1c2cccc(O)c2C(=O)C2C(O)=CC(C3CCCCC3)=CC12

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.57
AlogP: 3.09 Num_rotatable_bonds: 7
MolWt: 662.78 Num_heavy_atoms: 48
TPSA: 191.8 NumAromaticRings: 1

Unique Aglycone
AD46376
Formula: C11H18N2

Smiles:
CC1(C2=CCNC(N)=C2)CCCC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.64
AlogP: 1.9 Num_rotatable_bonds: 1
MolWt: 178.28 Num_heavy_atoms: 13
TPSA: 38.05 NumAromaticRings: 0
AD49093
Formula: C20H20O4

Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(C3CCCCC3)=CC12
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.4
AlogP: 3.97 Num_rotatable_bonds: 1
MolWt: 324.38 Num_heavy_atoms: 24
TPSA: 74.6 NumAromaticRings: 1

Sugarmoiety
SD04501

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