Glycoside
GD137988
Name:
2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-4,10-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C36H62O9Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD54125
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
