Glycoside
GD130890
Name:
5-(3a,10-dihydroxy-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)-2,3-dihydrofuran-3-oneFormula:
C35H52O15Smiles:
CC12CCC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CC1=CCC1C2C(O)CC2(C)C(C3=CC(=O)CO3)CCC12OAglycone:
CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C(C3=CC(=O)CO3)CCC12OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.79 | Num_heavy_atoms: | 50 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD53040
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C(C3=CC(=O)CO3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
