Glycoside
GD115287
Name:
2-{[2-({1-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-2-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C40H67O11NSmiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)N(C)C1Aglycone:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)N(C)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 737.97 | Num_heavy_atoms: | 52 |
| TPSA: | 181.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD45574
Formula: C28H47O2N
Smiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)N(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.69 | Num_heavy_atoms: | 31 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
