Glycoside
GD009245
Name:
PSEUDOJERVINEFormula:
C33H49O8NSmiles:
CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2CAglycone:
CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 587.75 | Num_heavy_atoms: | 42 |
| TPSA: | 137.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD07270
Formula: C27H39O3N
Smiles:
CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 425.61 | Num_heavy_atoms: | 31 |
| TPSA: | 58.56 | NumAromaticRings: | 0 |
