Glycoside
GD121169
Name:
3,5,14-trihydroxy-13-methoxy-9-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-8-oxatetracyclo[7.7.0.0²,â·.0¹¹,¹â¶]hexadeca-2,4,6,11(16),12,14-hexaen-10-oneFormula:
C28H32O16Smiles:
COc1cc2c(cc1O)C1c3c(O)cc(O)cc3OC1(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C2=OAglycone:
COc1cc2c(cc1O)C1c3c(O)cc(O)cc3OC1(O)C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD48744
Formula: C16H12O7
Smiles:
COc1cc2c(cc1O)C1c3c(O)cc(O)cc3OC1(O)C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
