Glycoside
GD136349
Name:
2-[(5-hydroxy-2-methyl-6-{2,7,10-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}heptyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H56O10Smiles:
CC(CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.8 | Num_heavy_atoms: | 43 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD11368
Formula: C27H46O5
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
