Glycoside
...
GD132423

Name:
None

Formula:
C30H38O11N2

Smiles:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(C)C(OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(C)C(O)C3.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.5
AlogP: 0.46 Num_rotatable_bonds: 12
MolWt: 602.64 Num_heavy_atoms: 43
TPSA: 200.0 NumAromaticRings: 4

Unique Aglycone
AD45137
Formula: C7H8N2

Smiles:
Cn1ccc2[nH]ccc21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 1.51 Num_rotatable_bonds: 0
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 20.72 NumAromaticRings: 2
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