Glycoside

GD120230
Name:
1-(10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl)-2-hydroxy-2-methylpropyl acetateFormula:
C38H62O12Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 7 | FractionCSP3: | 0.97 |
AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
MolWt: | 710.9 | Num_heavy_atoms: | 50 |
TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD19071
Formula: C32H52O7
Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OHBA: | 7 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.97 |
AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
MolWt: | 548.76 | Num_heavy_atoms: | 39 |
TPSA: | 116.45 | NumAromaticRings: | 0 |