Glycoside
GD007384
Name:
13,17-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-oneFormula:
C35H56O10Smiles:
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2C(=O)[C@H](O)[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]56C[C@@]46C[C@H](O)[C@]23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(=O)C(O)C3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD06021
Formula: C30H48O6
Smiles:
CC(C)(O)C1CCC(C)(C2C(=O)C(O)C3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C23C)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
