Glycoside
GD153387
Name:
2-{[9-hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-4-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-3,4,5-triolFormula:
C40H66O12Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(COC6OCC(O)C(O)C6O)C5CCC43C)C2C1Aglycone:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD45018
Formula: C30H50O4
Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
