Glycoside
...
GD003429

Name:
None

Formula:
C35H46O14N5F

Smiles:
CC(=O)OCC(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C1OC(n2cc(F)c(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C.O=c1[nH]cc(F)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 4 FractionCSP3: 0.54
AlogP: 1.47 Num_rotatable_bonds: 16
MolWt: 779.77 Num_heavy_atoms: 55
TPSA: 248.75 NumAromaticRings: 2

Unique Aglycone
AD01634
Formula: C4H3O2N2F

Smiles:
O=c1[nH]cc(F)c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.8 Num_rotatable_bonds: 0
MolWt: 130.08 Num_heavy_atoms: 9
TPSA: 65.72 NumAromaticRings: 1
AD03121
Formula: C23H35O7N3

Smiles:
CC(=O)OCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
HBA: 10 RingCount: 1
HBD: 3 FractionCSP3: 0.57
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 465.55 Num_heavy_atoms: 33
TPSA: 132.06 NumAromaticRings: 1

Sugarmoiety
SD00105

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