Glycoside
GD147371
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5-triolFormula:
C38H66O13Smiles:
COC1C(OC2CCC3(C)C(C2)C(O)CC2(O)C3CCC3(C)C(C(C)CCC(OC4OC(CO)C(O)C4O)C(C)C)CC(O)C32)OCC(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.93 | Num_heavy_atoms: | 51 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04465
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
