Glycoside
GD149202
Name:
2-[(2-{[1-(5,6-dihydroxy-4-methoxy-6-methylhept-2-en-2-yl)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H74O15Smiles:
COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)C(O)C(C)(C)OAglycone:
COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)C(O)C(C)(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 831.05 | Num_heavy_atoms: | 58 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD59666
Formula: C31H54O5
Smiles:
COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)C(O)C(C)(C)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.77 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
