Glycoside
GD035337
Name:
[14-(acetyloxy)-13-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-16-yl]methyl acetateFormula:
C39H62O12Smiles:
CC(=O)OC[C@@]12CC[C@@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC[C@H]4[C@@]1(C)[C@H](O)[C@H](OC(C)=O)[C@H]2[C@]1(C)CC[C@H](C(C)(C)O)O1Aglycone:
CC(=O)OCC12CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C(O)C(OC(C)=O)C2C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 722.91 | Num_heavy_atoms: | 51 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD22371
Formula: C34H54O8
Smiles:
CC(=O)OCC12CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C(O)C(OC(C)=O)C2C1(C)CCC(C(C)(C)O)O1| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
