Glycoside
GD133379
Name:
9-hydroxy-4-(4-hydroxyphenyl)-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,6-dihydro-2H-1-benzoxocin-2-oneFormula:
C29H34O14Smiles:
CC1OC(OCC2OC(OC3Cc4ccc(O)cc4OC(=O)C=C3c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(O)cc2O1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD12361
Formula: C17H14O5
Smiles:
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(O)cc2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
