Glycoside
GD002210
Name:
2-({2-hydroxy-9a,11a-dimethyl-1-[1-(5-methylpiperidin-2-yl)ethyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H55O7NSmiles:
C[C@H]1CC[C@@H]([C@H](C)C2[C@H](O)C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]23C)NC1Aglycone:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)NC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 577.8 | Num_heavy_atoms: | 41 |
| TPSA: | 131.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD02138
Formula: C27H45O2N
Smiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)NC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 415.66 | Num_heavy_atoms: | 30 |
| TPSA: | 52.49 | NumAromaticRings: | 0 |
