Glycoside
GD122660
Name:
2-{[13-hydroxy-8-(hydroxymethyl)-5-methoxytricyclo[9.4.0.0²,â·]pentadeca-1(15),2,4,6,8,11,13-heptaen-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C23H26O8Smiles:
COc1cc2c(cc1OC1OC(C)C(O)C(O)C1O)-c1ccc(O)cc1CC=C2COAglycone:
COc1cc2c(cc1O)-c1ccc(O)cc1CC=C2COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.45 | Num_heavy_atoms: | 31 |
| TPSA: | 128.84 | 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 |
