Glycoside

GD137213
Name:
2-({7,11-dihydroxy-1-[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O11Smiles:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4O)CC23C)CC1OAglycone:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 1.0 |
AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
MolWt: | 670.88 | Num_heavy_atoms: | 47 |
TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD55447
Formula: C30H52O6
Smiles:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)CC1OHBA: | 6 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 1.0 |
AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
MolWt: | 508.74 | Num_heavy_atoms: | 36 |
TPSA: | 110.38 | NumAromaticRings: | 0 |