Glycoside
...
GD154735

Name:
1-(3a-hydroxy-7-{[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}-9a,11a-dimethyl-11-(3-methyl-2-oxopent-3-en-1-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl acetate

Formula:
C56H90O20

Smiles:
CC=C(C)C(=O)CC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C

Aglycone:
CC=C(C)C(=O)CC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 6 FractionCSP3: 0.89
AlogP: 3.54 Num_rotatable_bonds: 17
MolWt: 1083.32 Num_heavy_atoms: 76
TPSA: 266.28 NumAromaticRings: 0

Unique Aglycone
AD61430
Formula: C29H44O5

Smiles:
CC=C(C)C(=O)CC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.79
AlogP: 5.14 Num_rotatable_bonds: 5
MolWt: 472.67 Num_heavy_atoms: 34
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1