Glycoside
...
GD032453

Name:
None

Formula:
C53H86O9N4

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.75
AlogP: 11.69 Num_rotatable_bonds: 38
MolWt: 923.29 Num_heavy_atoms: 66
TPSA: 179.77 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
SD03069

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