Glycoside
GD122300
Name:
6-[7-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2,2,6-trimethyloxan-4-yl acetateFormula:
C42H70O14Smiles:
CC(=O)OC1CC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(OC5OCC(O)C(O)C5OC5OCC(O)C(O)C5O)C(C)(C)C4CCC23C)OC(C)(C)C1OAglycone:
CC(=O)OC1CC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)OC(C)(C)C1OSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD49268
Formula: C32H54O6
Smiles:
CC(=O)OC1CC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)OC(C)(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
