Glycoside
GD109838
Name:
NoneFormula:
C33H50O8NSmiles:
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@H](O[C@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CAglycone:
CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)C[NH2+]C1C2CSugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.76 | Num_heavy_atoms: | 42 |
| TPSA: | 142.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD44574
Formula: C27H40O3N
Smiles:
CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)C[NH2+]C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 426.62 | Num_heavy_atoms: | 31 |
| TPSA: | 63.14 | NumAromaticRings: | 0 |
