Glycoside
GD028489
Name:
NoneFormula:
C30H46O12Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6COC(=O)[C@@]6(C)CC[C@H]54)C3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CC=C4CC(O)CCC43C)C1COC2=OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 598.69 | Num_heavy_atoms: | 42 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD18602
Formula: C18H26O3
Smiles:
CC12CCC3C(CC=C4CC(O)CCC43C)C1COC2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.4 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
