Glycoside
...
GD120580

Name:
7'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-2'-[3-methyl-3-(4-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)oxiran-2-yl]-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-one

Formula:
C48H78O19

Smiles:
CC(C)=CC(CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2)OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: -0.08 Num_rotatable_bonds: 12
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 296.51 NumAromaticRings: 0

Unique Aglycone
AD46232
Formula: C30H48O5

Smiles:
CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 5.42 Num_rotatable_bonds: 4
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 79.29 NumAromaticRings: 0

Sugarmoiety
SD00525

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O