Glycoside
GD121520
Name:
HeminineFormula:
C34H56O9Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5C4CCC4(C)C(C(C)O)CCC54O)C3)OC2C)OC(C)C1OAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.81 | Num_heavy_atoms: | 43 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD46291
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
