Glycoside
...
GD130137

Name:
1-[11-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-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-1-yl]ethyl benzoate

Formula:
C51H78O18

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.84
AlogP: 3.71 Num_rotatable_bonds: 13
MolWt: 979.17 Num_heavy_atoms: 69
TPSA: 236.82 NumAromaticRings: 1

Unique Aglycone
AD52729
Formula: C30H42O8

Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3CCC2(O)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3)C12C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.73
AlogP: 3.14 Num_rotatable_bonds: 4
MolWt: 530.66 Num_heavy_atoms: 38
TPSA: 133.52 NumAromaticRings: 1

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1