Glycoside
...
GD148221

Name:
None

Formula:
C33H42O10N2

Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCCC1)C(OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCCC1)C(O)C3.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.55
AlogP: 2.48 Num_rotatable_bonds: 11
MolWt: 626.7 Num_heavy_atoms: 45
TPSA: 179.77 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
AD51177
Formula: C20H24O4

Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCCC1)C(O)C3
HBA: 4 RingCount: 4
HBD: 1 FractionCSP3: 0.55
AlogP: 3.74 Num_rotatable_bonds: 1
MolWt: 328.41 Num_heavy_atoms: 24
TPSA: 59.67 NumAromaticRings: 2

Sugarmoiety
SD04404

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