Glycoside
GD137003
Name:
2-[(5-hydroperoxy-6-methyl-2-{5,7,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-6-en-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O11Smiles:
C=C(C)C(CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OOAglycone:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.88 | Num_heavy_atoms: | 47 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD04409
Formula: C30H52O6
Smiles:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
