Glycoside
...
GD007428

Name:
None

Formula:
C53H80O15N2

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](CC=Cc2ccc3ccccc3c2)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)(O)[C@H](OC(=O)CC)[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=Cc2ccc3ccccc3c2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 3 FractionCSP3: 0.7
AlogP: 5.21 Num_rotatable_bonds: 15
MolWt: 985.22 Num_heavy_atoms: 70
TPSA: 209.29 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
AD04954
Formula: C35H49O8N

Smiles:
CCC(=O)OC1CC(=O)OC(CC=Cc2ccc3ccccc3c2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.57
AlogP: 4.56 Num_rotatable_bonds: 8
MolWt: 611.78 Num_heavy_atoms: 44
TPSA: 122.6 NumAromaticRings: 2

Sugarmoiety
SD00067

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