Glycoside

GD126735
Name:
4-{7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C35H54O15Smiles:
CC1OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.91 |
AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
MolWt: | 714.8 | Num_heavy_atoms: | 50 |
TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45889
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.87 |
AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
MolWt: | 406.52 | Num_heavy_atoms: | 29 |
TPSA: | 107.22 | NumAromaticRings: | 0 |