Glycoside
GD018656
Name:
NoneFormula:
C43H70O13Smiles:
COC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 795.02 | Num_heavy_atoms: | 56 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03137
Formula: C31H50O3
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
