Glycoside
GD118506
Name:
Beciumecine 2Formula:
C58H94O28Smiles:
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(CO)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5C(O)CC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -4.99 | Num_rotatable_bonds: | 13 |
| MolWt: | 1239.36 | Num_heavy_atoms: | 86 |
| TPSA: | 453.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD47394
Formula: C30H48O7
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5C(O)CC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
Sugarmoiety
SD00167
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O