Glycoside
GD110208
Name:
NoneFormula:
C30H42O8Smiles:
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccc(=O)oc1Aglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 129.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD44626
Formula: C24H32O3
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.52 | Num_heavy_atoms: | 27 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
