Glycoside
GD130032
Name:
2-[(2-{8,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C47H80O18Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)C(O)CC4(C)C3CC(O)C12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 933.14 | Num_heavy_atoms: | 65 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47856
Formula: C30H52O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
