Glycoside
GD118986
Name:
11-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-oneFormula:
C35H56O10Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(CO)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47619
Formula: C29H46O5
Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
