Glycoside
GD145372
Name:
2,11-dihydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-10-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-22-oxahexacyclo[19.2.1.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-16-en-23-oneFormula:
C41H64O15Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C23CC1OC3=OAglycone:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C23CC1OC3=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01012
Formula: C30H46O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
