Glycoside
GD145225
Name:
Saccharosacrin CFormula:
C61H91O17NSmiles:
CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=OAglycone:
CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 1110.39 | Num_heavy_atoms: | 79 |
| TPSA: | 250.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD48964
Formula: C49H71O11N
Smiles:
CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 850.1 | Num_heavy_atoms: | 61 |
| TPSA: | 173.57 | NumAromaticRings: | 0 |
