Glycoside
GD011674
Name:
ANGUDRACANOSIDE DFormula:
C38H58O15SSmiles:
C=C1CO[C@@]2(C[C@H]1O)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@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2CAglycone:
C=C1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OCC(S(=O)(=O)O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 786.93 | Num_heavy_atoms: | 54 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD08892
Formula: C27H40O5
Smiles:
C=C1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
