Glycoside
...
GD028962

Name:
1-acetyl-1,3a,3b-trihydroxy-7-{[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}-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:
C55H88O21

Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@]6(O)[C@H]5C[C@H](OC(=O)C=C(C)C(C)C)[C@]5(C)[C@](O)(C(C)=O)CC[C@]65O)C4)C[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)C1(O)CCC2(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(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 7 FractionCSP3: 0.89
AlogP: 2.41 Num_rotatable_bonds: 16
MolWt: 1085.29 Num_heavy_atoms: 76
TPSA: 286.51 NumAromaticRings: 0

Unique Aglycone
AD11904
Formula: C28H42O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 2.98 Num_rotatable_bonds: 4
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD02036

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