Glycoside
GD138219
Name:
10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C45H72O16Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C6CCC7(C(=O)O)CCC(C)(C)CC7C6=CCC54)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 869.06 | Num_heavy_atoms: | 61 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD45987
Formula: C29H46O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
