Glycoside
...
GD130950

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

Formula:
C54H86O20

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 5 FractionCSP3: 0.89
AlogP: 3.46 Num_rotatable_bonds: 15
MolWt: 1055.26 Num_heavy_atoms: 74
TPSA: 255.28 NumAromaticRings: 0

Unique Aglycone
AD20778
Formula: C26H38O7

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.77
AlogP: 2.35 Num_rotatable_bonds: 3
MolWt: 462.58 Num_heavy_atoms: 33
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00850

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