Glycoside
GD136224
Name:
3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl 10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C45H72O16Smiles:
CC1(C)CCC2(C(=O)OC3OCC(O)C(O)C3OC3OCC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OCC(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 869.05 | Num_heavy_atoms: | 61 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD47803
Formula: C29H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
