Glycoside
GD148837
Name:
2-[(2-{7,11-dihydroxy-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C41H70O12Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 755.0 | Num_heavy_atoms: | 53 |
| TPSA: | 198.76 | 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 |
