Glycoside
GD134465
Name:
3-(7-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-3a,10-dihydroxy-9a-(hydroxymethyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C34H52O15Smiles:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(CO)C(CCC4C3C(O)CC3C(C5=CCOC5=O)CCC34O)C2)C(O)C1OAglycone:
O=C1OCC=C1C1CCC2(O)C1CC(O)C1C2CCC2CC(O)CCC21COSugarmoiety:
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: | -2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 700.78 | Num_heavy_atoms: | 49 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45789
Formula: C22H32O6
Smiles:
O=C1OCC=C1C1CCC2(O)C1CC(O)C1C2CCC2CC(O)CCC21CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.49 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
