Glycoside
GD136813
Name:
{2,3b,5-trihydroxy-7-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxidanesulfonic acidFormula:
C34H60O12SSmiles:
COC1COC(OC2CCC3(C)C(C2)C(O)CC2(O)C3CCC3(C)C(C(C)CCCC(C)C)C(O)C(OS(=O)(=O)O)C32)C(OC)C1OAglycone:
CC(C)CCCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1COC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 692.91 | Num_heavy_atoms: | 47 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55299
Formula: C27H48O8S
Smiles:
CC(C)CCCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
