Glycoside
GD127553
Name:
9-{5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}-4a,7,8-trihydroxy-3-methyl-1,4,4a,5,6,12b-hexahydrotetraphene-1,6-dioneFormula:
C31H36O11Smiles:
CC1=CC(=O)C2c3cc4ccc(C5CC(O)C(OC6CC(O)C(O)C(C)O6)C(C)O5)c(O)c4c(O)c3C(=O)CC2(O)C1Aglycone:
CC1=CC(=O)C2c3cc4ccc(C5CC(O)C(O)C(C)O5)c(O)c4c(O)c3C(=O)CC2(O)C1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 584.62 | Num_heavy_atoms: | 42 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD51653
Formula: C25H26O8
Smiles:
CC1=CC(=O)C2c3cc4ccc(C5CC(O)C(O)C(C)O5)c(O)c4c(O)c3C(=O)CC2(O)C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.48 | Num_heavy_atoms: | 33 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
