Glycoside

GD118102
Name:
2,3,12-trihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C36H56O13Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 6 |
HBD: | 9 | FractionCSP3: | 0.89 |
AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
MolWt: | 696.83 | Num_heavy_atoms: | 49 |
TPSA: | 234.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD47186
Formula: C30H46O8
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)OHBA: | 8 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.87 |
AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
MolWt: | 534.69 | Num_heavy_atoms: | 38 |
TPSA: | 155.52 | NumAromaticRings: | 0 |