Glycoside
GD025016
Name:
17-hydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,24-dioxaheptacyclo[16.5.2.0¹,¹âµ.0²,â´.0âµ,¹â´.0â¶,¹¹.0¹â¸,²³]pentacosan-25-oneFormula:
C35H54O10Smiles:
CC1(C)CC[C@@]23C(=O)O[C@@]4([C@H]2C1)[C@@H]1O[C@H]1[C@@H]1[C@]2(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]2CC[C@@]1(C)[C@@]4(C)C[C@H]3OAglycone:
CC1(C)CCC23C(=O)OC4(C5OC5C5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD16634
Formula: C30H46O6
Smiles:
CC1(C)CCC23C(=O)OC4(C5OC5C5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
