Glycoside

GD106613
Name:
[3,4,5-tris(acetyloxy)-6-{4-[bis(2-hydroxyethyl)carbamoyl]-2-methoxyphenoxy}oxan-2-yl]methyl acetateFormula:
C26H35O14NSmiles:
COc1cc(C(=O)N(CCO)CCO)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COc1cc(C(=O)N(CCO)CCO)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 15 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.58 |
AlogP: | -0.42 | Num_rotatable_bonds: | 13 |
MolWt: | 585.56 | Num_heavy_atoms: | 41 |
TPSA: | 193.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44143
Formula: C12H17O5N
Smiles:
COc1cc(C(=O)N(CCO)CCO)ccc1OHBA: | 6 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.42 |
AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
MolWt: | 255.27 | Num_heavy_atoms: | 18 |
TPSA: | 90.23 | NumAromaticRings: | 1 |