Glycoside
GD147054
Name:
Breynin CFormula:
C40H56O22SSmiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C3CC(O)C1(O)C2=OAglycone:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(O)C3CC(O)C1(O)C2=OSugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(C)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | -4.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 920.93 | Num_heavy_atoms: | 63 |
| TPSA: | 339.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD58903
Formula: C22H26O9S
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3SCC(O)C3CC(O)C1(O)C2=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 466.51 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
