Glycoside
...
GD118001

Name:
1-acetyl-11-(acetyloxy)-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-10-yl benzoate

Formula:
C56H84O21

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4C(OC(=O)c4ccccc4)C(OC(C)=O)C4(C)C(C(C)=O)CCC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C

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: 21 RingCount: 9
HBD: 6 FractionCSP3: 0.84
AlogP: 2.86 Num_rotatable_bonds: 15
MolWt: 1093.27 Num_heavy_atoms: 77
TPSA: 283.35 NumAromaticRings: 1

Unique Aglycone
AD45180
Formula: C30H40O7

Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.7
AlogP: 4.09 Num_rotatable_bonds: 4
MolWt: 512.64 Num_heavy_atoms: 37
TPSA: 110.13 NumAromaticRings: 1

Sugarmoiety
SD02836

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