Glycoside
...
GD138109

Name:
None

Formula:
C34H52O12N2

Smiles:
C=NC(C(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(COC(=O)C(N=C)=C(C)C)OC(=O)CCC)=C(C)C

Aglycone:
C=NC(C=O)=C(C)C.C=NC(C=O)=C(C)C.CCCC=O.CCCC=O.CCCC=O.CCCC=O

Sugarmoiety:
OOCC(OO)C(OO)C(OO)C(COO)OO

Other Identifiers

Properties
HBA: 14 RingCount: 0
HBD: 0 FractionCSP3: 0.65
AlogP: 4.91 Num_rotatable_bonds: 23
MolWt: 680.79 Num_heavy_atoms: 48
TPSA: 182.52 NumAromaticRings: 0

Unique Aglycone
AD07262
Formula: C4H8O

Smiles:
CCCC=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.99 Num_rotatable_bonds: 2
MolWt: 72.11 Num_heavy_atoms: 5
TPSA: 17.07 NumAromaticRings: 0
AD47885
Formula: C6H9ON

Smiles:
C=NC(C=O)=C(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.33
AlogP: 1.18 Num_rotatable_bonds: 2
MolWt: 111.14 Num_heavy_atoms: 8
TPSA: 29.43 NumAromaticRings: 0

Sugarmoiety
SD01429

OOCC(OO)C(OO)C(OO)C(COO)OO