Glycoside
...
GD147736

Name:
None

Formula:
C43H52O12N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)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)(CCC1CN=C(O)C12CCCC2)C(O)C3.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.51
AlogP: 1.55 Num_rotatable_bonds: 14
MolWt: 802.9 Num_heavy_atoms: 58
TPSA: 229.08 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
AD56133
Formula: C30H34O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.5
AlogP: 2.84 Num_rotatable_bonds: 4
MolWt: 516.62 Num_heavy_atoms: 38
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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