Glycoside
...
GD144309

Name:
None

Formula:
C43H50O10N2

Smiles:
NC1=CC(C2(CC3(O)C(O)C(CO)OC(Oc4cccc5c4C(=O)C4C(O)=CC(Cc6cccc(CO)c6)=CC4C5=O)C3O)CCC3(CCCC3)C2)=CCN1

Aglycone:
CC1(C2=CCNC(N)=C2)CCC2(CCCC2)C1.O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12

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

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 9 FractionCSP3: 0.49
AlogP: 3.41 Num_rotatable_bonds: 9
MolWt: 754.88 Num_heavy_atoms: 55
TPSA: 212.03 NumAromaticRings: 2

Unique Aglycone
AD46377
Formula: C22H18O5

Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.18
AlogP: 3.12 Num_rotatable_bonds: 3
MolWt: 362.38 Num_heavy_atoms: 27
TPSA: 94.83 NumAromaticRings: 2
AD52223
Formula: C15H24N2

Smiles:
CC1(C2=CCNC(N)=C2)CCC2(CCCC2)C1
HBA: 2 RingCount: 3
HBD: 3 FractionCSP3: 0.73
AlogP: 3.07 Num_rotatable_bonds: 1
MolWt: 232.37 Num_heavy_atoms: 17
TPSA: 38.05 NumAromaticRings: 0

Sugarmoiety
SD04501

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