Glycoside
GD119222
Name:
GlycoerysodinFormula:
C23H29O8NSmiles:
COc1cc2c(cc1O)CCN1CC=C3C=CC(OC4OC(CO)C(O)C(O)C4O)CC321Aglycone:
COc1cc2c(cc1O)CCN1CC=C3C=CC(O)CC321Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.48 | Num_heavy_atoms: | 32 |
| TPSA: | 132.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD47728
Formula: C17H19O3N
Smiles:
COc1cc2c(cc1O)CCN1CC=C3C=CC(O)CC321| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.93 | NumAromaticRings: | 1 |
