Glycoside
...
GD140293

Name:
None

Formula:
C38H45O11N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C1CCCC1)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C1CCCC1)C(O)C3.Cc1ccc(O)cc1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 7 FractionCSP3: 0.47
AlogP: 0.81 Num_rotatable_bonds: 12
MolWt: 705.78 Num_heavy_atoms: 51
TPSA: 196.49 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD50304
Formula: C25H27O4N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C1CCCC1)C(O)C3
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.44
AlogP: 2.1 Num_rotatable_bonds: 2
MolWt: 419.5 Num_heavy_atoms: 31
TPSA: 76.88 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO