Glycoside
GD012491
Name:
ProtodioscinFormula:
C51H84O22Smiles:
CC1OC(OC2C(CO)OC(O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@](O)(CC[C@H](C)COC8OC(CO)C(O)C(O)C8O)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 1049.21 | Num_heavy_atoms: | 73 |
| TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD01953
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
