Glycoside
...
GD150066

Name:
1-acetyl-3a,3b-dihydroxy-7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-5-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-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 3,4-dimethylpent-2-enoate

Formula:
C76H124O29

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=C(C)C(C)C)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5CC(OC)C(OC6OC(CO)C(O)C(O)C6O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1CCC2(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(OC3CC(OC)C(OC4CC(OC)C(OC5CC(OC)C(OC6OC(CO)C(O)C(O)C6O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 29 RingCount: 11
HBD: 6 FractionCSP3: 0.92
AlogP: 4.9 Num_rotatable_bonds: 25
MolWt: 1501.8 Num_heavy_atoms: 105
TPSA: 349.35 NumAromaticRings: 0

Unique Aglycone
AD45368
Formula: C28H42O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 3.87 Num_rotatable_bonds: 4
MolWt: 474.64 Num_heavy_atoms: 34
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD06496

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5CC(OC)C(OC6OC(CO)C(O)C(O)C6O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C(C)O1