Glycoside
GD133271
Name:
[2-carboxy-10-({6-carboxy-3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-13-ylidene]oxidaniumFormula:
C42H63O16Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 823.95 | Num_heavy_atoms: | 58 |
| TPSA: | 271.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53946
Formula: C30H47O4
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=[OH+])C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 471.7 | Num_heavy_atoms: | 34 |
| TPSA: | 78.93 | NumAromaticRings: | 0 |
