Glycoside
GD142953
Name:
Dioseptemloside DFormula:
C39H62O13Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD13156
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
