Glycoside
...
GD114246

Name:
None

Formula:
C31H35O12N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2CC1(CCCO)C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2CC1(CCCO)C(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.42
AlogP: -0.5 Num_rotatable_bonds: 11
MolWt: 641.63 Num_heavy_atoms: 46
TPSA: 242.4 NumAromaticRings: 2

Unique Aglycone
AD44932
Formula: C25H25O7N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2CC1(CCCO)C(=O)O
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.28
AlogP: 2.03 Num_rotatable_bonds: 8
MolWt: 479.49 Num_heavy_atoms: 35
TPSA: 163.25 NumAromaticRings: 2

Sugarmoiety
SD00003

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