Glycoside
...
GD118339

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

Formula:
C63H96O27

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 11 FractionCSP3: 0.84
AlogP: -0.6 Num_rotatable_bonds: 19
MolWt: 1285.43 Num_heavy_atoms: 90
TPSA: 385.89 NumAromaticRings: 1

Unique Aglycone
AD47304
Formula: C30H40O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.67
AlogP: 3.18 Num_rotatable_bonds: 4
MolWt: 512.64 Num_heavy_atoms: 37
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD05218

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1