Glycoside
GD115613
Name:
2-{[2-(11-hydroxy-3a,3b,6,6-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C46H78O17Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 903.11 | Num_heavy_atoms: | 63 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45766
Formula: C29H50O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.72 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
