Glycoside
GD117732
Name:
Calogenin 3-O-Beta-D-Digitalopyranoside-20-O-Beta-D-CanaropyranosideFormula:
C34H56O10Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5CC(O)C(O)C(C)O5)CCC43O)C2)C1OAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)CC(O)C1O.COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.81 | Num_heavy_atoms: | 44 |
| TPSA: | 147.3 | 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 |
