Glycoside
GD132700
Name:
1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-7-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triolFormula:
C39H68O13Smiles:
COC1COC(OC2CCC3(C)C4CCC5(C)C(C(C)CCC(OC6OC(CO)C(O)C6O)C(C)C)CC(O)C5C4CC(O)C3C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(O)C(OC)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 744.96 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD08178
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
