Glycoside
GD147397
Name:
6-[1-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)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]-4-(hydroxymethyl)-3-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C40H62O15Smiles:
CC1=C(CO)CC(C(C)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)OC1=OAglycone:
CC1=C(CO)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC1=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 782.92 | Num_heavy_atoms: | 55 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD48981
Formula: C28H42O5
Smiles:
CC1=C(CO)CC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)OC1=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
