Glycoside
...
GD148943

Name:
1-acetyl-7-[(5-{[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-hydroxy-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-phenylprop-2-enoate

Formula:
C69H104O29

Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)C=Cc4ccccc4)C4(C)C(O)(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OC1CC(O)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=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 29 RingCount: 11
HBD: 11 FractionCSP3: 0.83
AlogP: 0.23 Num_rotatable_bonds: 21
MolWt: 1397.56 Num_heavy_atoms: 98
TPSA: 404.35 NumAromaticRings: 1

Unique Aglycone
AD00401
Formula: C30H38O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.6
AlogP: 3.1 Num_rotatable_bonds: 4
MolWt: 510.63 Num_heavy_atoms: 37
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD09607

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1