Glycoside
...
GD139948

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}-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-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoate

Formula:
C61H98O26

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=C(C)C(C)C)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 10 FractionCSP3: 0.9
AlogP: 0.24 Num_rotatable_bonds: 19
MolWt: 1247.43 Num_heavy_atoms: 87
TPSA: 365.66 NumAromaticRings: 0

Unique Aglycone
AD11904
Formula: C28H42O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 2.98 Num_rotatable_bonds: 4
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD02298

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1