Glycoside
GD131498
Name:
2,5,8-trihydroxy-3-methyl-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl})-1,4-dihydronaphthalene-1,4-dioneFormula:
C23H28O15S2Smiles:
CC1=C(O)C(=O)c2c(O)c(SC3OC(CO)C(O)C(O)C3O)c(SC3OC(CO)C(O)C(O)C3O)c(O)c2C1=OAglycone:
CC1=C(O)C(=O)c2c(O)c(S)c(S)c(O)c2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.6 | Num_heavy_atoms: | 40 |
| TPSA: | 275.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD52386
Formula: C11H8O5S2
Smiles:
CC1=C(O)C(=O)c2c(O)c(S)c(S)c(O)c2C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.31 | Num_heavy_atoms: | 18 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
