Glycoside
GD114369
Name:
Surculoside AFormula:
C44H70O18Smiles:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OCC(O)(CO)C7O)C(O)C6O)CC(OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 887.03 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD04751
Formula: C27H42O5
Smiles:
CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
