Glycoside
GD133257
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,4,5-pentolFormula:
C33H58O11Smiles:
COC1C(OC2CCC3(C)C(C2)C(O)C(O)C2(O)C3CCC3(C)C(C(C)CCCC(C)CO)C(O)C(O)C32)OCC(O)C1OAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12OSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.82 | Num_heavy_atoms: | 44 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53938
Formula: C27H48O7
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.67 | Num_heavy_atoms: | 34 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
