Glycoside
GD011252
Name:
TROPEOSIDE B2Formula:
C38H62O13Smiles:
C[C@@H](CC[C@]1(O)O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06757
Formula: C27H44O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
