Glycoside
GD119318
Name:
6-[(2-{[10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹â´,¹â¹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl phenyl carbonateFormula:
C46H64O15Smiles:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC(=O)Oc7ccccc7)C(O)C6O)CCC5(C)C4CCC3(C=O)C2C1CAglycone:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C=O)C2C1C.O=C(O)Oc1ccccc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 857.0 | Num_heavy_atoms: | 61 |
| TPSA: | 220.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD44843
Formula: C7H6O3
Smiles:
O=C(O)Oc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47781
Formula: C27H40O4
Smiles:
CC(C)=CC1C(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C=O)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
