Glycoside
GD138269
Name:
5-hydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,6H,7H,7aH,8H,9H,10H,11H,11aH-phenanthro[3,4-c]furan-3-oneFormula:
C26H36O10Smiles:
CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(OC3OC(CO)C(O)C(O)C3O)OC4=O)CCC12Aglycone:
CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(O)OC4=O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46022
Formula: C20H26O5
Smiles:
CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(O)OC4=O)CCC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
