Glycoside
GD121889
Name:
2-[(3,5-dihydroxy-2-{[7-hydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C39H66O12Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 726.94 | Num_heavy_atoms: | 51 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD16126
Formula: C27H46O3
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
