Glycoside
GD022446
Name:
9-({[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}methyl)-10,12-dihydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acidFormula:
C39H60O11Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](OC[C@H]2[C@@H]3CC[C@]4(C)[C@@H](CC=C5[C@@H]6C[C@@](C)(C(=O)O)CC[C@@]6(C)CC[C@]54C)[C@]3(C)[C@@H](O)C[C@H]2O)[C@H](OC(C)=O)[C@H]1OAglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.9 | Num_heavy_atoms: | 50 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD15216
Formula: C29H46O5
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
