Glycoside
GD035718
Name:
2-{[13,14,17-trihydroxy-16-(hydroxymethyl)-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C35H58O11Smiles:
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](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@]23CO)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)C(O)C3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C23CO)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.84 | Num_heavy_atoms: | 46 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD22586
Formula: C30H50O7
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)C(O)C3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C23CO)O1| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 130.61 | NumAromaticRings: | 0 |
