Glycoside
...
GD136034

Name:
7-({5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,3a,3b,11-tetrol

Formula:
C40H66O17

Smiles:
COC1CC(OC2C=C3CCC4(O)C(CC(O)C5(C)C(O)(C(C)O)CCC45O)C3(C)CC2)OC(C)C1OC1CC(O)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.95
AlogP: -1.14 Num_rotatable_bonds: 9
MolWt: 818.95 Num_heavy_atoms: 57
TPSA: 266.91 NumAromaticRings: 0

Unique Aglycone
AD54992
Formula: C21H34O6

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CCC4=CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.9
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD06628

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