Glycoside
...
GD123668

Name:
1-{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-hydroxy-6-methyloxan-2-yl)oxy]-1,3a,3b,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethyl 3-phenylprop-2-enoate

Formula:
C57H88O20

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(O)C4(C)C(O)(C(C)OC(=O)C=Cc6ccccc6)CCC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 7 FractionCSP3: 0.84
AlogP: 3.42 Num_rotatable_bonds: 15
MolWt: 1093.31 Num_heavy_atoms: 77
TPSA: 269.44 NumAromaticRings: 1

Unique Aglycone
AD49302
Formula: C30H42O7

Smiles:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.7
AlogP: 2.97 Num_rotatable_bonds: 4
MolWt: 514.66 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00924

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1