Glycoside
...
GD036850

Name:
None

Formula:
C29H42O7N4

Smiles:
CCCCCCCCCCCC(=O)OC[C@H](O)[C@H](O)[C@H](O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21

Aglycone:
CCCCCCCCCCCC=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C

Sugarmoiety:
OOCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.62
AlogP: 2.75 Num_rotatable_bonds: 16
MolWt: 558.68 Num_heavy_atoms: 40
TPSA: 167.63 NumAromaticRings: 1

Unique Aglycone
AD07263
Formula: C13H12O2N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 80.64 NumAromaticRings: 1
AD20817
Formula: C12H24O

Smiles:
CCCCCCCCCCCC=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.92
AlogP: 4.11 Num_rotatable_bonds: 10
MolWt: 184.32 Num_heavy_atoms: 13
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD01759

OOCC(O)C(O)C(O)O