Glycoside
GD153150
Name:
10'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6',7'-dihydroxy-5-methyl-5',12'-dioxo-3'-oxa-12'λâ´-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,â¶]dodecan]-4-yl 4-hydroxybenzoateFormula:
C34H46O20SSmiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)CS3=OAglycone:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -5.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 806.79 | Num_heavy_atoms: | 55 |
| TPSA: | 318.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD45861
Formula: C22H26O10S
Smiles:
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(O)CS3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.51 | Num_heavy_atoms: | 33 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
