Glycoside
...
GD137942

Name:
None

Formula:
C36H42O10N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(Cn1ccc3[nH]ccc31)C(O)C(O)CO)C(C)(C)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.42
AlogP: 2.76 Num_rotatable_bonds: 12
MolWt: 690.75 Num_heavy_atoms: 50
TPSA: 200.49 NumAromaticRings: 6

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
AD49369
Formula: C23H24O4N2

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.35
AlogP: 4.01 Num_rotatable_bonds: 2
MolWt: 392.46 Num_heavy_atoms: 29
TPSA: 80.39 NumAromaticRings: 4

Sugarmoiety
SD04404

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