Glycoside
GD008833
Name:
ANGUDRACANOSIDE EFormula:
C32H50O10SSmiles:
C[C@@H]1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@@H]6OC[C@H](S(=O)(=O)O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
O=S(=O)(O)C1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 626.81 | Num_heavy_atoms: | 43 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD06417
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(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 |
