Glycoside
GD119682
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-{[10-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acidFormula:
C42H64O15Smiles:
CC1(CO)CC2C3=CC=C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1OAglycone:
CC1(CO)CC2C3=CC=C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD47755
Formula: C30H48O3
Smiles:
CC1(CO)CC2C3=CC=C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1O| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
