Glycoside
GD115987
Name:
2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,â¶.0²,¹â·.0â¸,¹³]nonadecan-4-oneFormula:
C26H40O14Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4OAglycone:
CC1CC(O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | -4.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 576.59 | Num_heavy_atoms: | 40 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45983
Formula: C20H30O9
Smiles:
CC1CC(O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4O| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.45 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
