Glycoside
...
GD140643

Name:
None

Formula:
C30H39O11N2

Smiles:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(C)C(OOCC(O)C(O)(CN1C=CC2=[NH+]C=CC21)C(O)C(O)CO)C3

Aglycone:
CN1C=CC2=[NH+]C=CC21.Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(C)C(O)C3

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.53
AlogP: -2.28 Num_rotatable_bonds: 12
MolWt: 603.65 Num_heavy_atoms: 43
TPSA: 196.49 NumAromaticRings: 2

Unique Aglycone
AD47386
Formula: C7H9N2

Smiles:
CN1C=CC2=[NH+]C=CC21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -1.14 Num_rotatable_bonds: 0
MolWt: 121.16 Num_heavy_atoms: 9
TPSA: 17.21 NumAromaticRings: 0
AD50081
Formula: C17H20O5

Smiles:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(C)C(O)C3
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.47
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 304.34 Num_heavy_atoms: 22
TPSA: 79.9 NumAromaticRings: 2

Sugarmoiety
SD04404

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