Glycoside
GD154680
Name:
aesculioside g1Formula:
C54H84O23Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OAglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.87 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 1101.24 | Num_heavy_atoms: | 77 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD54781
Formula: C37H58O8
Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
