Glycoside
GD114456
Name:
5,6-dihydroxy-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-oneFormula:
C21H18O10Smiles:
CC1OC(Oc2ccc3c(c2)oc2c4ccc(O)c(O)c4oc(=O)c32)C(O)C(O)C1OAglycone:
O=c1oc2c(O)c(O)ccc2c2oc3cc(O)ccc3c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.37 | Num_heavy_atoms: | 31 |
| TPSA: | 162.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD45069
Formula: C15H8O6
Smiles:
O=c1oc2c(O)c(O)ccc2c2oc3cc(O)ccc3c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 104.04 | NumAromaticRings: | 4 |
