Glycoside
...
GD152876

Name:
2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-5-hydroxy-6-methylhept-6-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:
C53H90O23

Smiles:
C=C(C)C(O)CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -2.59 Num_rotatable_bonds: 16
MolWt: 1095.28 Num_heavy_atoms: 76
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD46808
Formula: C30H52O4

Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 5
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00272

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O