Glycoside
GD131513
Name:
2-{[3,5-dihydroxy-2-({11-hydroxy-1-[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C6(C)CC(O)C(C(C)(C)O)O6)CCC45C)C3(C)C)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD48650
Formula: C30H52O5
Smiles:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
