Glycoside
...
GD036962

Name:
None

Formula:
C35H50O9N4

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

Aglycone:
CCCCCC=O.CCCCCC=O.CCCCCC=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: 0.63
AlogP: 4.67 Num_rotatable_bonds: 20
MolWt: 670.8 Num_heavy_atoms: 48
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
AD23306
Formula: C6H12O

Smiles:
CCCCCC=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.77 Num_rotatable_bonds: 4
MolWt: 100.16 Num_heavy_atoms: 7
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD03069

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