Glycoside
GD124651
Name:
2-({4,13-dihydroxy-5-methoxytricyclo[9.4.0.0²,â·]pentadeca-1(15),2,4,6,8,11,13-heptaen-8-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H26O9Smiles:
COc1cc2c(cc1O)-c1ccc(O)cc1CC=C2COC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2c(cc1O)-c1ccc(O)cc1CC=C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD49448
Formula: C17H16O4
Smiles:
COc1cc2c(cc1O)-c1ccc(O)cc1CC=C2CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
