Glycoside
GD016573
Name:
2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]12CAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD11918
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| 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 |
