Glycoside
GD141470
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,6-tetrolFormula:
C33H58O10Smiles:
COC1C(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)CCCC(C)CO)C(O)C(O)C34)C2O)OCC(O)C1OAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3CCC12OSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.82 | Num_heavy_atoms: | 43 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56989
Formula: C27H48O6
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3CCC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
