Glycoside
GD026598
Name:
NoneFormula:
C52H90O7Smiles:
CCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)C=C[C@H](CC)C(C)C)[C@]5(C)CC[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 12.05 | Num_rotatable_bonds: | 24 |
| MolWt: | 827.29 | Num_heavy_atoms: | 59 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD15110
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD17521
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 15 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
