Glycoside
GD150380
Name:
6-acetyl-5,8-dihydroxy-7-methyl-4-[(3,4,5-trihydroxy-6-{7-hydroxyspiro[4.5]decan-7-yl}oxan-2-yl)oxy]naphthalene-2-carboxylic acidFormula:
C29H36O11Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(C4(O)CCCC5(CCCC5)C4)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O.OC1CCCC2(CCCC2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47220
Formula: C14H12O6
Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
AD59915
Formula: C10H18O
Smiles:
OC1CCCC2(CCCC2)C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
