Glycoside
...
GD140947

Name:
1,3a,3b,5a-tetrahydroxy-7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-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-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoate

Formula:
C64H98O26

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)O)CCC5(O)C4(O)C=CC3(O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(O)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 10 FractionCSP3: 0.83
AlogP: 0.79 Num_rotatable_bonds: 19
MolWt: 1283.46 Num_heavy_atoms: 90
TPSA: 357.82 NumAromaticRings: 1

Unique Aglycone
AD45953
Formula: C30H40O8

Smiles:
CC(O)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 8 RingCount: 5
HBD: 6 FractionCSP3: 0.63
AlogP: 1.86 Num_rotatable_bonds: 4
MolWt: 528.64 Num_heavy_atoms: 38
TPSA: 147.68 NumAromaticRings: 1

Sugarmoiety
SD00904

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