Glycoside
GD143231
Name:
4-(7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-2,3,3a,4-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C40H62O18Smiles:
CC1OC(OC2COC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CCC5(C)C(C6=CC(=O)OC6)C(O)C(O)C45O)OC3C)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CC(O)C1C2CCC2(C)C(C3=CC(=O)OC3)C(O)C(O)C12OSugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 830.92 | Num_heavy_atoms: | 58 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57616
Formula: C23H34O7
Smiles:
CC12CCC(O)CC1CC(O)C1C2CCC2(C)C(C3=CC(=O)OC3)C(O)C(O)C12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
