Glycoside
GD149964
Name:
Caucasicoside CFormula:
C46H74O20Smiles:
C=C(CCC1(OC)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(O)C5(C)C4C(O)CC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 13 |
| MolWt: | 947.08 | Num_heavy_atoms: | 66 |
| TPSA: | 316.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48789
Formula: C28H44O6
Smiles:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.65 | Num_heavy_atoms: | 34 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
