Glycoside
GD035525
Name:
2-{[3,4-dihydroxy-22-(2-hydroxypropan-2-yl)-1,5,10,10-tetramethyl-21,25-dioxaheptacyclo[20.2.1.0²,¹â¹.0âµ,¹â¹.0â¶,¹â¶.0â¹,¹â´.0¹â´,¹â¶]pentacosan-11-yl]oxy}oxane-3,4,5-triolFormula:
C35H56O10Smiles:
CC1(C)[C@H]2CC[C@H]3[C@]4(CC[C@@]56CO[C@]7(C(C)(C)O)CC[C@](C)(O7)[C@H]5[C@H](O)[C@H](O)[C@@]36C)C[C@@]24CC[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(C(C)(C)O)(OCC34CCC56CC57CCC(O)C(C)(C)C7CCC6C3(C)C(O)C(O)C14)O2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD22469
Formula: C30H48O6
Smiles:
CC12CCC(C(C)(C)O)(OCC34CCC56CC57CCC(O)C(C)(C)C7CCC6C3(C)C(O)C(O)C14)O2| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
