Glycoside
...
GD121134

Name:
None

Formula:
C45H48O13N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)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)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 9 FractionCSP3: 0.4
AlogP: 1.4 Num_rotatable_bonds: 12
MolWt: 838.89 Num_heavy_atoms: 61
TPSA: 249.31 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
AD45490
Formula: C28H28O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.39
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 486.55 Num_heavy_atoms: 36
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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