Glycoside
...
GD134173

Name:
None

Formula:
C39H47O11N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)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: 0.49
AlogP: 1.2 Num_rotatable_bonds: 12
MolWt: 719.81 Num_heavy_atoms: 52
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
AD50719
Formula: C26H29O4N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)C(O)C3
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.46
AlogP: 2.49 Num_rotatable_bonds: 2
MolWt: 433.53 Num_heavy_atoms: 32
TPSA: 76.88 NumAromaticRings: 2

Sugarmoiety
SD04426

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