Glycoside
GD133005
Name:
4,5-dihydroxy-2-{[4-hydroxy-3a,6,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C43H70O13Smiles:
CC(=O)OC1C(OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(O)C(O)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)OC(CO)C(O)C1OAglycone:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 795.02 | Num_heavy_atoms: | 56 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47019
Formula: C30H50O3
Smiles:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
