Glycoside
GD145761
Name:
4a,7,8-trihydroxy-9-[4-hydroxy-5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]-3-methyl-1,4,4a,5,6,12b-hexahydrotetraphene-1,6-dioneFormula:
C37H46O13Smiles:
CC1=CC(=O)C2c3cc4ccc(C5CC(O)C(OC6CC(OC7CCC(O)C(C)O7)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)C1.CC1OC(O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 698.76 | Num_heavy_atoms: | 50 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
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 |
