Glycoside
GD142021
Name:
NoneFormula:
C43H66O15Smiles:
CC(=O)OCC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(CCC5C4CCC4(C(=O)O)C(C(C)C=CC6CC6C)CCC54)C3)C2OC(C)=O)C(O)C(O)C1OAglycone:
CC(C=CC1CC1C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C(=O)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 822.99 | Num_heavy_atoms: | 58 |
| TPSA: | 227.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57173
Formula: C27H42O3
Smiles:
CC(C=CC1CC1C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C(=O)O| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
