Glycoside
GD145338
Name:
2-({4,5-dihydroxy-2-[(11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-{6-methyl-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-5-en-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C47H80O17Smiles:
CC(C)=CCCC(C)(OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 917.14 | Num_heavy_atoms: | 64 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00161
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
