Glycoside
...
GD131156

Name:
4-(3a-hydroxy-7-{[4-hydroxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-one

Formula:
C49H78O18

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 6 FractionCSP3: 0.94
AlogP: 2.38 Num_rotatable_bonds: 12
MolWt: 955.15 Num_heavy_atoms: 67
TPSA: 239.98 NumAromaticRings: 0

Unique Aglycone
AD01378
Formula: C23H34O4

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 3.6 Num_rotatable_bonds: 1
MolWt: 374.52 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD02836

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1