Glycoside
GD021177
Name:
GracillinFormula:
C45H72O17Smiles:
CC1OC(OC2C(O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.05 | Num_heavy_atoms: | 62 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
