Glycoside

GD139587
Name:
6,7,25,26,32-pentahydroxy-5,24,31-trimethyl-20-pentyl-33-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.0³,â¸.0²²,²â·]tritriacontan-10-oneFormula:
C40H70O18Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2OC1OC(C)C(O)C(O)C1OAglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.97 |
AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
MolWt: | 838.98 | Num_heavy_atoms: | 58 |
TPSA: | 261.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56291
Formula: C34H60O14
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2OHBA: | 14 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.97 |
AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
MolWt: | 692.84 | Num_heavy_atoms: | 48 |
TPSA: | 203.06 | NumAromaticRings: | 0 |