Glycoside
GD019891
Name:
5-hydroxy-2-methyl-9-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4H,8H,11H-oxepino[2,3-h]chromen-4-oneFormula:
C27H34O15Smiles:
Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CO3Aglycone:
Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO)CO3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD13812
Formula: C15H14O5
Smiles:
Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(CO)CO3| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
