Glycoside
GD127835
Name:
6-[1-(9a,11a-dimethyl-9-oxo-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)-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-oneFormula:
C40H60O15Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(=O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 780.91 | Num_heavy_atoms: | 55 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD51773
Formula: C28H40O5
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 456.62 | Num_heavy_atoms: | 33 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
