Glycoside
...
GD151855

Name:
1-[1-(acetyloxy)ethyl]-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-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate

Formula:
C56H94O21

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)CC(C)C)C3(C)C(O)(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)CC(C)C)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: 21 RingCount: 8
HBD: 5 FractionCSP3: 0.96
AlogP: 3.98 Num_rotatable_bonds: 17
MolWt: 1103.35 Num_heavy_atoms: 77
TPSA: 264.51 NumAromaticRings: 0

Unique Aglycone
AD60520
Formula: C28H46O8

Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)CC(C)C)C12C
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 2.87 Num_rotatable_bonds: 5
MolWt: 510.67 Num_heavy_atoms: 36
TPSA: 133.52 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