Glycoside
GD118530
Name:
{2-[(8,11-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-docosahydropicen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acidFormula:
C36H62O11SSmiles:
CC1C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OS(=O)(=O)O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CCC1(C)OAglycone:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CCC1(C)O.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 702.95 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD19176
Formula: C30H52O3
Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CCC1(C)O| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
