Glycoside
GD111409
Name:
NoneFormula:
C34H46O12Smiles:
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.76 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.73 | Num_heavy_atoms: | 46 |
| TPSA: | 157.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD43994
Formula: C21H30O3
Smiles:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
