Glycoside
...
GD128987

Name:
2-[1-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-1-(hexa-1,3,5-triyn-1-yloxy)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H70O19

Smiles:
C#CC#CC#COC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12C

Aglycone:
C#CC#CC#COC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.87
AlogP: -2.59 Num_rotatable_bonds: 10
MolWt: 939.06 Num_heavy_atoms: 66
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD51864
Formula: C30H42O5

Smiles:
C#CC#CC#COC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 3.3 Num_rotatable_bonds: 2
MolWt: 482.66 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00544

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O