Glycoside
GD142321
Name:
10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acidFormula:
C41H64O12Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C2CCC13CAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 748.95 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51002
Formula: C30H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
