Glycoside
...
GD117236

Name:
None

Formula:
C40H45O13N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.4
AlogP: 0.25 Num_rotatable_bonds: 14
MolWt: 761.8 Num_heavy_atoms: 55
TPSA: 236.95 NumAromaticRings: 4

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD46673
Formula: C23H25O5N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(O)C3
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.39
AlogP: 0.68 Num_rotatable_bonds: 4
MolWt: 409.46 Num_heavy_atoms: 30
TPSA: 97.11 NumAromaticRings: 2

Sugarmoiety
SD04426

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