Glycoside
GD024519
Name:
NoneFormula:
C37H58O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@H]54)C3)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 742.86 | Num_heavy_atoms: | 52 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD16165
Formula: C19H28O2
Smiles:
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.43 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
