Glycoside
GD114488
Name:
5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-8'-oloxy]oxane-3,4-diolFormula:
C38H60O14Smiles:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C21OAglycone:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45088
Formula: C27H42O5
Smiles:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
