Glycoside
GD122610
Name:
4-(acetyloxy)-2-(2-{2,3-dihydroxy-5-[({7,8,9,12,13,14,28,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹â¹.0âµ,¹â°.0¹¹,¹â¶.0²â¶,³¹.0³²,³â·]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]phenoxy}-3,4,5-trihydroxybenzoyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl 2',3',4,4',5,6-hexahydroxy-[1,1'-biphenyl]-2-carboxylateFormula:
C69H52O43Smiles:
CC(=O)OC1C(O)C(CO)OC(OC(=O)c2cc(O)c(O)c(O)c2Oc2cc(C(=O)OC3OC4COC(=O)c5cc(O)cc(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC4C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC34)cc(O)c2O)C1OC(=O)c1cc(O)c(O)c(O)c1-c1ccc(O)c(O)c1OAglycone:
O=C(O)c1cc(O)c(O)c(O)c1-c1ccc(O)c(O)c1O.O=C(OC1OC2COC(=O)c3cc(O)cc(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC12)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 43 | RingCount: | 12 |
| HBD: | 24 | FractionCSP3: | 0.19 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 1569.13 | Num_heavy_atoms: | 112 |
| TPSA: | 723.61 | NumAromaticRings: | 8 |
Unique Aglycone
AD46276
Formula: C13H10O8
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1-c1ccc(O)c(O)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.21 | Num_heavy_atoms: | 21 |
| TPSA: | 158.68 | NumAromaticRings: | 2 |
AD49425
Formula: C48H32O30
Smiles:
O=C(OC1OC2COC(=O)c3cc(O)cc(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC12)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1| HBA: | 30 | RingCount: | 9 |
| HBD: | 17 | FractionCSP3: | 0.12 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 1088.75 | Num_heavy_atoms: | 78 |
| TPSA: | 510.94 | NumAromaticRings: | 6 |
