Glycoside
...
GD022688

Name:
None

Formula:
C25H36O12N4

Smiles:
CC(=O)OCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C1OC(n2cc(C)c(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCCNC(=O)C(C)NC(=O)OC(C)(C)C.Cc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 3 FractionCSP3: 0.64
AlogP: -0.43 Num_rotatable_bonds: 9
MolWt: 584.58 Num_heavy_atoms: 41
TPSA: 210.42 NumAromaticRings: 1

Unique Aglycone
AD00276
Formula: C5H6O2N2

Smiles:
Cc1c[nH]c(=O)[nH]c1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.63 Num_rotatable_bonds: 0
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 65.72 NumAromaticRings: 1
AD02220
Formula: C12H22O5N2

Smiles:
CC(=O)OCCNC(=O)C(C)NC(=O)OC(C)(C)C
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.58 Num_rotatable_bonds: 5
MolWt: 274.32 Num_heavy_atoms: 19
TPSA: 93.73 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O