Glycoside
GD018383
Name:
4-{15-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-8,12-dimethyl-2,6-dioxahexacyclo[9.8.0.0¹,³.0³,â¸.0âµ,â·.0¹²,¹â·]nonadecan-7-yl}-2,5-dihydrofuran-2-oneFormula:
C30H42O8Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]45O[C@]46C[C@@H]4O[C@@]4(C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC13OC14CC1OC1(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 99.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD12980
Formula: C23H30O5
Smiles:
CC12CCC(O)CC1CCC13OC14CC1OC1(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 5 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 71.59 | NumAromaticRings: | 0 |
