Glycoside
GD131342
Name:
Ibho#18Formula:
C26H37O8NSmiles:
CC1OC(OCCCCCCCCC(O)CC(=O)O)C(O)CC1OC(=O)c1c[nH]c2ccccc12Aglycone:
O=C(O)CC(O)CCCCCCCCO.O=C(O)c1c[nH]c2ccccc12Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 491.58 | Num_heavy_atoms: | 35 |
| TPSA: | 138.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD45110
Formula: C9H7O2N
Smiles:
O=C(O)c1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
AD49918
Formula: C11H22O4
Smiles:
O=C(O)CC(O)CCCCCCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 218.29 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
