Glycoside
...
GD021743

Name:
None

Formula:
C32H42O13N4

Smiles:
CC(=O)OCC(NC(=O)C(COCc1ccccc1)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(COCc1ccccc1)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: 17 RingCount: 3
HBD: 3 FractionCSP3: 0.53
AlogP: 0.76 Num_rotatable_bonds: 13
MolWt: 690.7 Num_heavy_atoms: 49
TPSA: 219.65 NumAromaticRings: 2

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
AD14817
Formula: C19H28O6N2

Smiles:
CC(=O)OCCNC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.53
AlogP: 1.78 Num_rotatable_bonds: 9
MolWt: 380.44 Num_heavy_atoms: 27
TPSA: 102.96 NumAromaticRings: 1

Sugarmoiety
SD00105

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