Glycoside
GD146033
Name:
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,8-dihydroxy-2,6-dimethoxy-9H-xanthen-9-oneFormula:
C27H32O16Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD50053
Formula: C15H12O7
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
