Glycoside
GD124643
Name:
Glycitein 7-O-(6''-Succinylglucoside)Formula:
C26H26O13Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OC1OC(COC(=O)CCC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CCC(=O)O.COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 202.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD08961
Formula: C5H8O4
Smiles:
COC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD11999
Formula: C16H12O5
Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
