Glycoside
GD031186
Name:
6-acetyl-14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-9-yl acetateFormula:
C37H58O13Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@H]5[C@@H](OC(C)=O)[C@@H](O)[C@]6(C)[C@@H](C(C)=O)CC[C@]67O[C@]57CC[C@@H]4C3)C[C@H]2OC)[C@@H]1OAglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 710.86 | Num_heavy_atoms: | 50 |
| TPSA: | 171.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD20109
Formula: C23H34O6
Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
