Glycoside
...
GD143558

Name:
None

Formula:
C43H49O12N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(C1CCCCC1)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)(C1CCCCC1)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 8 FractionCSP3: 0.44
AlogP: 2.06 Num_rotatable_bonds: 12
MolWt: 785.87 Num_heavy_atoms: 57
TPSA: 216.72 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
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