Glycoside
GD123407
Name:
1-acetyl-8-(acetyloxy)-6,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoateFormula:
C35H56O13Smiles:
CC(=O)OC1CC2(C)C(CCC3C2CCC2(C)C3CC(OC(=O)CCC(C)COC3OC(CO)C(O)C(O)C3O)C2C(C)=O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3C2CCC2(C)C3CC(OC(=O)CCC(C)CO)C2C(C)=O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.82 | Num_heavy_atoms: | 48 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD49797
Formula: C29H46O8
Smiles:
CC(=O)OC1CC2(C)C(CCC3C2CCC2(C)C3CC(OC(=O)CCC(C)CO)C2C(C)=O)C(O)C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
