Glycoside
GD107951
Name:
13,18-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-12-oneFormula:
C30H42O10Smiles:
CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4C(=O)[C@@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)O[C@H](C)[C@@H]1OAglycone:
CC12CCC(O)CC1CC1OC13C2C(=O)C(O)C1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 144.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD44376
Formula: C23H30O7
Smiles:
CC12CCC(O)CC1CC1OC13C2C(=O)C(O)C1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
