Glycoside
GD033166
Name:
GRYCOERYSODINEFormula:
C24H31O8NSmiles:
COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCN1CC=C3C=C[C@H](OC)C[C@]321Aglycone:
COc1cc2c(cc1O)CCN1CC=C3C=CC(OC)CC321Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.51 | Num_heavy_atoms: | 33 |
| TPSA: | 121.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD21191
Formula: C18H21O3N
Smiles:
COc1cc2c(cc1O)CCN1CC=C3C=CC(OC)CC321| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.37 | Num_heavy_atoms: | 22 |
| TPSA: | 41.93 | NumAromaticRings: | 1 |
