Glycoside
GD132422
Name:
2-[(2-{[7,11-dihydroxy-3a,3b,5a,6,6,9a-hexamethyl-1-(6-methylhepta-2,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C43H72O12Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2(C)CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C2(C)C(C)(C)C(O)CCC12CAglycone:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2(C)CC(O)C2(C)C(C)(C)C(O)CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 781.04 | Num_heavy_atoms: | 55 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD53616
Formula: C31H52O3
Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2(C)CC(O)C2(C)C(C)(C)C(O)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
