Glycoside
GD135370
Name:
Breynin BFormula:
C40H56O24SSmiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O)CS3=OAglycone:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=OSugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.8 |
| AlogP: | -6.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 952.93 | Num_heavy_atoms: | 65 |
| TPSA: | 377.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD45861
Formula: C22H26O10S
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.51 | Num_heavy_atoms: | 33 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
