Glycoside
...
GD032765

Name:
None

Formula:
C55H84O16N4

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](CC=Cc2cnc3ccccc3c2)CCCN(C)C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(OC(=O)CC)[C@H](OC(=O)N(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(CC=Cc2cnc3ccccc3c2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC.CN(C)C(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 2 FractionCSP3: 0.71
AlogP: 5.31 Num_rotatable_bonds: 16
MolWt: 1057.29 Num_heavy_atoms: 75
TPSA: 231.49 NumAromaticRings: 2

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD00919
Formula: C34H48O8N2

Smiles:
CCC(=O)OC1CC(=O)OC(CC=Cc2cnc3ccccc3c2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.59
AlogP: 3.96 Num_rotatable_bonds: 8
MolWt: 612.76 Num_heavy_atoms: 44
TPSA: 135.49 NumAromaticRings: 2
AD16141
Formula: C3H7O2N

Smiles:
CN(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.23 Num_rotatable_bonds: 0
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 40.54 NumAromaticRings: 0

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1