Glycoside
GD146179
Name:
6-[1-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-oneFormula:
C34H52O9Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.78 | Num_heavy_atoms: | 43 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD14846
Formula: C28H42O4
Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
