Glycoside
GD014043
Name:
NoneFormula:
C38H56O14Smiles:
CO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)C(C5=CC(=O)OC5)=CC[C@@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12OSugarmoiety:
COC1C(OC2OC(CO)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.85 | Num_heavy_atoms: | 52 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD08280
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
