Glycoside
...
GD115902

Name:
1-acetyl-3a,3b-dihydroxy-7-[(4-hydroxy-5-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-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:
C56H82O18

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(C(C)=O)CCC76O)C5)OC4C)OC3C)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 5 FractionCSP3: 0.79
AlogP: 4.81 Num_rotatable_bonds: 14
MolWt: 1043.25 Num_heavy_atoms: 74
TPSA: 236.82 NumAromaticRings: 1

Unique Aglycone
AD45512
Formula: C30H38O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.6
AlogP: 3.98 Num_rotatable_bonds: 4
MolWt: 494.63 Num_heavy_atoms: 36
TPSA: 104.06 NumAromaticRings: 1

Sugarmoiety
SD04729

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)CC2OC)OC(C)C1O