Glycoside
GD139714
Name:
2-{[4-hydroxy-4-(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]oxolan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C38H60O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(CO)CO6)C(C)C54O)C3)OCC2(O)CO)C(O)C(O)C1OAglycone:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
CC1OC(OC2C(O)OCC2(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | 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 |
