Glycoside
...
GD116673

Name:
None

Formula:
C39H44O10N2

Smiles:
NC1=CC(C2(CC3(O)C(O)C(CO)OC(Oc4cccc5c4C(=O)C4C(O)=CC(Cc6cccc(CO)c6)=CC4C5=O)C3O)CCCC2)=CCN1

Aglycone:
CC1(C2=CCNC(N)=C2)CCCC1.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: 7
HBD: 9 FractionCSP3: 0.44
AlogP: 2.24 Num_rotatable_bonds: 9
MolWt: 700.79 Num_heavy_atoms: 51
TPSA: 212.03 NumAromaticRings: 2

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
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

Sugarmoiety
SD04501

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