Glycoside
GD035578
Name:
NoneFormula:
C41H66O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](OC[C@@]3(C)[C@H](O)CC[C@@]4(C)[C@@H]5CC=C6[C@@H]7C[C@@](C)(O)[C@H](O)C[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]43)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.96 | Num_heavy_atoms: | 56 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD22504
Formula: C29H46O6
Smiles:
CC1(O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
