Glycoside
GD127408
Name:
glaucaside aFormula:
C41H66O16SSmiles:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OS(=O)(=O)O)C(C)(C)C5CCC2(C)C4(C)CC3O)CC1OAglycone:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(C)C5CCC2(C)C4(C)CC3O)CC1O.O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 847.03 | Num_heavy_atoms: | 58 |
| TPSA: | 251.36 | 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 |
AD51595
Formula: C30H48O4
Smiles:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(C)C5CCC2(C)C4(C)CC3O)CC1O| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
